Vitas-M small molecule compound
(8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(pyridin-3-ylmethyl)imino]card-20(22)-enolide
Catalog ID
STL526273
SMILES O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1cccnc1)CCC(C2)O)O)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 C29H38N2O5 MW 494.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O5/c1-26-8-5-23-24(29(26,35)11-7-22(26)20-13-25(33)36-17-20)6-10-28(34)14-21(32)4-9-27(23,28)18-31-16-19-3-2-12-30-15-19/h2-3,12-13,15,18,21-24,32,34-35H,4-11,14,16-17H2,1H3/b31-18+/t21?,22?,23-,24?,26+,27-,28?,29?/m0/s1InChIKey
FITFJYXJRDHVFM-CBCKYQQVSA-NSynonyms
(8xi14xi17xi19E)3514trihydroxy19((pyridin3ylmethyl)imino)card20(22)enolide
4((3S5S8R9S10R13R14S17R)3514trihydroxy13methyl10((E)((pyridin3ylmethyl)imino)methyl)hexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC29H38N2O5c126852324(29(2635)11722(26)201325(33)361720)61028(34)1421(32)4927(2328)183116193212301519h23121315182124323435H411141617H21H3b3118+t21?22?2324?26+2728?29?m0s1
MFCD02924948
O=C1OCC(=C1)(C@H)1CC(C@)2((C@)1(C)CC(C@H)1(C@H)2CC(C@)2((C@)1(C=NCc1cccnc1)CC(C@@H)(C2)O)O)O
ZINC001772492013
ZINC001772492016
Check stock
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