Vitas-M small molecule compound
(8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(1-hydroxybutan-2-yl)imino]card-20(22)-enolide
Catalog ID
STL526137
SMILES CCC(/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O)CO
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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 C27H41NO6 MW 475.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41NO6/c1-3-18(14-29)28-16-25-9-4-19(30)13-26(25,32)10-6-22-21(25)5-8-24(2)20(7-11-27(22,24)33)17-12-23(31)34-15-17/h12,16,18-22,29-30,32-33H,3-11,13-15H2,1-2H3/b28-16+/t18?,19?,20?,21-,22?,24+,25-,26?,27?/m0/s1InChIKey
ASLHXRONSASUAK-MPJUVGEESA-NSynonyms
(8xi14xi17xi19E)3514trihydroxy19((1hydroxybutan2yl)imino)card20(22)enolide
4((3S5S8R9S10R13R14S17R)3514trihydroxy10((E)((1hydroxybutan2yl)imino)methyl)13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
CCC(N=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)O)CO
InChI=1SC27H41NO6c1318(1429)2816259419(30)1326(2532)1062221(25)5824(2)20(71127(2224)33)171223(31)341517h1216182229303233H3111315H212H3b2816+t18?19?20?2122?24+2526?27?m0s1
MFCD02925969
ZINC000118929567
ZINC000253501538
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