Vitas-M small molecule compound
(8xi,14xi,17xi,19E)-19-{[2-(3,4-dimethoxyphenyl)ethyl]imino}-3,5,14-trihydroxycard-20(22)-enolide
Catalog ID
STL526086
SMILES COc1cc(CC/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)ccc1OC
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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 C33H45NO7 MW 567.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45NO7/c1-30-11-7-25-26(33(30,38)14-9-24(30)22-17-29(36)41-19-22)8-13-32(37)18-23(35)6-12-31(25,32)20-34-15-10-21-4-5-27(39-2)28(16-21)40-3/h4-5,16-17,20,23-26,35,37-38H,6-15,18-19H2,1-3H3/b34-20+/t23?,24?,25-,26?,30+,31-,32?,33?/m0/s1InChIKey
DUKDVBVPSCXKKO-LMQBATLWSA-NSynonyms
(8xi14xi17xi19E)19((2(34dimethoxyphenyl)ethyl)imino)3514trihydroxycard20(22)enolide
4((3S5S8R9S10R13R14S17R)10((E)((34dimethoxyphenethyl)imino)methyl)3514trihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
COc1cc(CCN=C(C@@)23CC(C@@H)(C(C@@)3(O)CC(C@@H)3(C@@H)2CC(C@)2((C@)3(O)CC(C@@H)2C2=CC(=O)OC2)C)O)ccc1OC
InChI=1SC33H45NO7c1301172526(33(3038)14924(30)221729(36)411922)81332(37)1823(35)61231(2532)20341510214527(392)28(1621)403h451617202326353738H6151819H213H3b3420+t23?24?2526?30+3132?33?m0s1
MFCD02925944
ZINC000118920396
ZINC000253503109
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