Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[methyl(tetrahydrofuran-2-ylmethyl)amino]-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-y
Catalog ID
STL558140
SMILES CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)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)N(CC1CCCO1)C
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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 C43H56N2O13 MW 808.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H56N2O13/c1-20-13-11-14-21(2)42(53)44-32-33(45(9)19-27-15-12-17-55-27)38(51)29-30(37(32)50)36(49)25(6)40-31(29)41(52)43(8,58-40)56-18-16-28(54-10)22(3)39(57-26(7)46)24(5)35(48)23(4)34(20)47/h11,13-14,16,18,20,22-24,27-28,34-35,39,47-49H,12,15,InChIKey
KBPHVPRFGDGCJH-IPACVAIPSA-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))21517trihydroxy11methoxy371214161822heptamethyl26(methyl(oxolan2ylmethyl)amino)6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)acetat
(2S12Z14E16S17S18R19S20S21S22R23S24E)51719trihydroxy23methoxy241216182022heptamethyl8(methyl(tetrahydrofuran2ylmethyl)amino)16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21y
16398465
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)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)N(CC1CCCO1)C
InChI=1SC43H56N2O13c12013111421(2)42(53)443233(45(9)19271512175527)38(51)2930(37(32)50)36(49)25(6)4031(29)41(52)43(85840)56181628(5410)22(3)39(5726(7)46)24(5)35(48)23(4)34(20)47h111314161820222427283435394749H12151719H2110H3(H4453)b1311+1816+2114t202
MFCD03849880
ZINC001286778339
ZINC001286778340
Check stock
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Check stock on Vitas-MAvailable files
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