Vitas-M small molecule compound
(8xi,14xi,17alpha,19E)-19-(decylimino)-3,5,14-trihydroxycard-20(22)-enolide
Catalog ID
STL527496
SMILES CCCCCCCCCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)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 C33H53NO5 MW 543.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H53NO5/c1-3-4-5-6-7-8-9-10-19-34-23-31-16-11-25(35)21-32(31,37)17-13-28-27(31)12-15-30(2)26(14-18-33(28,30)38)24-20-29(36)39-22-24/h20,23,25-28,35,37-38H,3-19,21-22H2,1-2H3/b34-23+/t25?,26-,27-,28?,30+,31-,32?,33?/m0/s1InChIKey
UBZJGEIINGIMGY-NVLOCORTSA-NSynonyms
(8xi14xi17alpha19E)19(decylimino)3514trihydroxycard20(22)enolide
4((3S5S8R9S10R13R14S17R)10((E)(decylimino)methyl)3514trihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
CCCCCCCCCCN=C(C@@)12CC(C@@H)(C(C@@)2(O)CC(C@@H)2(C@@H)1CC(C@)1((C@)2(O)CC(C@@H)1C1=CC(=O)OC1)C)O
InChI=1SC33H53NO5c134567891019342331161125(35)2132(3137)17132827(31)121530(2)26(141833(2830)38)242029(36)392224h20232528353738H3192122H212H3b3423+t25?262728?30+3132?33?m0s1
MFCD03661313
ZINC000253501994
ZINC001772492199
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