Vitas-M small molecule compound
(8xi,14xi,17xi,19E)-19-{[2-(3,4-dihydroxyphenyl)ethyl]imino}-3,5,14-trihydroxycard-20(22)-enolide
Catalog ID
STL526266
SMILES OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/CCc1ccc(c(c1)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 C31H41NO7 MW 539.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41NO7/c1-28-9-5-23-24(31(28,38)12-7-22(28)20-15-27(36)39-17-20)6-11-30(37)16-21(33)4-10-29(23,30)18-32-13-8-19-2-3-25(34)26(35)14-19/h2-3,14-15,18,21-24,33-35,37-38H,4-13,16-17H2,1H3/b32-18+/t21?,22?,23-,24?,28+,29-,30?,31?/m0/s1InChIKey
MZWMGBCUMIVPGY-IPHWNEMZSA-NSynonyms
(8xi14xi17xi19E)19((2(34dihydroxyphenyl)ethyl)imino)3514trihydroxycard20(22)enolide
4((3S5S8R9S10R13R14S17R)10((E)((34dihydroxyphenethyl)imino)methyl)3514trihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC31H41NO7c128952324(31(2838)12722(28)201527(36)391720)61130(37)1621(33)41029(2330)1832138192325(34)26(35)1419h23141518212433353738H4131617H21H3b3218+t21?22?2324?28+2930?31?m0s1
MFCD02925118
O(C@H)1CC(C@)2((C@)(C1)(O)CC(C@@H)1(C@@H)2CC(C@)2((C@)1(O)CC(C@@H)2C1=CC(=O)OC1)C)C=NCCc1ccc(c(c1)O)O
ZINC001772492069
ZINC001772492072
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