Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22S,23S,24E)-17,19,21-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-8-(pyrrolidin-1-yl)-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 4-methylbenzoate
Catalog ID
STL558170
SMILES CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2)C)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)O)C)O)C)O)C)/C)N1CCCC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C47H56N2O12 MW 840.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H56N2O12/c1-23-15-17-30(18-16-23)46(57)60-42-29(7)43-34-32-33(42)40(53)35(36(41(32)54)49-20-10-11-21-49)48-45(56)25(3)14-12-13-24(2)37(50)27(5)39(52)28(6)38(51)26(4)31(58-9)19-22-59-47(8,61-43)44(34)55/h12-19,22,24,26-28,31,37-39,50-52H,10-11,InChIKey
HIGQXZHPJLAGRO-WINLKZGSSA-NSynonyms
((7~(S)9~(E)11~(S)12~(S)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(E)21~(Z))131517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo26pyrrolidin1yl830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)4methylbenzoate
(2S12Z14E16S17S18R19S20S21S22S23S24E)171921trihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(pyrrolidin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl4methylbenzoate
16405171
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2)C)NC(=O)C(=CC=C(C@@H)((C@@H)((C@H)((C@@H)((C@@H)((C@@H)((C@@H)1C)O)C)O)C)O)C)C)N1CCCC1
InChI=1SC47H56N2O12c123151730(181623)46(57)604229(7)43343233(42)40(53)35(36(41(32)54)492010112149)4845(56)25(3)14121324(2)37(50)27(5)39(52)28(6)38(51)26(4)31(589)19225947(86143)44(34)55h1219222426283137395052H10112021H219H3(H4856)b1312+2219+2514t2426
MFCD05732118
NOIMINO)NAPHTHO(21B)FURAN5YL4METHYLBENZOATE
ZINC000254850979
ZINC245226080
Check stock
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Check stock on Vitas-MAvailable files
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