Vitas-M small molecule compound
(8xi,14xi,17xi,19E)-19-{[2-(cyclohex-1-en-1-yl)ethyl]imino}-3,5,14-trihydroxycard-20(22)-enolide
Catalog ID
STL526143
SMILES OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/CCC1=CCCCC1
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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 C31H45NO5 MW 511.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45NO5/c1-28-12-8-25-26(31(28,36)15-10-24(28)22-17-27(34)37-19-22)9-14-30(35)18-23(33)7-13-29(25,30)20-32-16-11-21-5-3-2-4-6-21/h5,17,20,23-26,33,35-36H,2-4,6-16,18-19H2,1H3/b32-20+/t23?,24?,25-,26?,28+,29-,30?,31?/m0/s1InChIKey
IBDYGFADBPCGQE-UAZSAFBESA-NSynonyms
(8xi14xi17xi19E)19((2(cyclohex1en1yl)ethyl)imino)3514trihydroxycard20(22)enolide
4((3S5S8R9S10R13R14S17R)10((E)((2(cyclohex1en1yl)ethyl)imino)methyl)3514trihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC31H45NO5c1281282526(31(2836)151024(28)221727(34)371922)91430(35)1823(33)71329(2530)20321611215324621h517202326333536H246161819H21H3b3220+t23?24?2526?28+2930?31?m0s1
MFCD02925066
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=NCCC1=CCCCC1
ZINC001772492034
ZINC001772492037
Check stock
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