Vitas-M small molecule compound
(8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(pyridin-4-ylmethyl)imino]card-20(22)-enolide
Catalog ID
STL526059
SMILES O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1ccncc1)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/c1-26-8-3-23-24(29(26,35)11-5-22(26)20-14-25(33)36-17-20)4-10-28(34)15-21(32)2-9-27(23,28)18-31-16-19-6-12-30-13-7-19/h6-7,12-14,18,21-24,32,34-35H,2-5,8-11,15-17H2,1H3/b31-18+/t21?,22?,23-,24?,26+,27-,28?,29?/m0/s1InChIKey
KHHOUARHSDWEKJ-CBCKYQQVSA-NSynonyms
(8xi14xi17xi19E)3514trihydroxy19((pyridin4ylmethyl)imino)card20(22)enolide
4((3S5S8R9S10R13R14S17R)3514trihydroxy13methyl10((E)((pyridin4ylmethyl)imino)methyl)hexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC29H38N2O5c126832324(29(2635)11522(26)201425(33)361720)41028(34)1521(32)2927(2328)183116196123013719h671214182124323435H258111517H21H3b3118+t21?22?2324?26+2728?29?m0s1
MFCD02925586
O=C1OCC(=C1)(C@H)1CC(C@)2((C@)1(C)CC(C@H)1(C@H)2CC(C@)2((C@)1(C=NCc1ccncc1)CC(C@@H)(C2)O)O)O
ZINC001772492051
ZINC001772492054
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