Vitas-M small molecule compound
(19E)-19-[(cyanomethyl)imino]-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide
Catalog ID
STL511037
SMILES N#CC/N=C/C12CCC(CC2(O)CCC2C1CCC1(C2(O)CCC1C1=CC(=O)OC1)C)OC1CC(O)C(C(O1)C)O
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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 C31H44N2O8 MW 572.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H44N2O8/c1-18-27(36)24(34)14-26(40-18)41-20-3-8-29(17-33-12-11-32)22-4-7-28(2)21(19-13-25(35)39-16-19)6-10-31(28,38)23(22)5-9-30(29,37)15-20/h13,17-18,20-24,26-27,34,36-38H,3-10,12,14-16H2,1-2H3/b33-17+InChIKey
RAMCBZHYSSVMCY-ATZGPIRCSA-NSynonyms
(19E)19((cyanomethyl)imino)3((26dideoxyhexopyranosyl)oxy)514dihydroxycard20(22)enolide
2((E)(((3S5S8R9S10R13R14S17R)3((45dihydroxy6methyltetrahydro2Hpyran2yl)oxy)514dihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren10yl)methylene)amino)acetonitrile
InChI=1SC31H44N2O8c11827(36)24(34)1426(4018)41203829(1733121132)224728(2)21(191325(35)391619)61031(2838)23(22)5930(2937)1520h13171820242627343638H310121416H212H3b3317+
MFCD07212064
N#CCN=C(C@@)12CC(C@@H)(C(C@@)2(O)CC(C@@H)2(C@@H)1CC(C@)1((C@)2(O)CC(C@@H)1C1=CC(=O)OC1)C)OC1CC(O)C(C(O1)C)O
ZINC000253502368
ZINC000253502380
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