Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-21-(acetyloxy)-17,19-dihydroxy-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 2-chloroben
Catalog ID
STL529161
SMILES CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2Cl)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)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 C48H55ClN2O13 MW 903.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H55ClN2O13/c1-23-15-14-16-24(2)46(58)50-36-37(51-20-12-13-21-51)41(56)33-34(40(36)55)43(63-47(59)30-17-10-11-18-31(30)49)28(6)44-35(33)45(57)48(8,64-44)61-22-19-32(60-9)25(3)42(62-29(7)52)27(5)39(54)26(4)38(23)53/h10-11,14-19,22-23,25-27,32,38InChIKey
RKRVMDIFXOUHOO-KSILANPJSA-NSynonyms
((7~(S)9~(E)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(E)21~(Z))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo26pyrrolidin1yl830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)2chlorobenzoate
(2S12Z14E16S17S18R19S20S21S22R23S24E)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(pyrrolidin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl2chloroben
16404148
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2Cl)NC(=O)C(=CC=C(C@@H)((C@@H)((C@H)((C@@H)((C@@H)((C@@H)((C@@H)1C)OC(=O)C)C)O)C)O)C)C)N1CCCC1
InChI=1SC48H55ClN2O13c12315141624(2)46(58)503637(512012132151)41(56)3334(40(36)55)43(6347(59)301710111831(30)49)28(6)4435(33)45(57)48(86444)61221932(609)25(3)42(6229(7)52)27(5)39(54)26(4)38(23)53h1011141922232527323839425354H12132021H219H3(H5058)b151
MFCD05724596
ZINC000254413403
ZINC253387658
Check stock
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Check stock on Vitas-MAvailable files
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