Vitas-M small molecule compound
(8xi,10xi,14xi,17xi,19E)-19-[(2,2-dimethoxyethyl)imino]-3,5,14-trihydroxycard-20(22)-enolide
Catalog ID
STL526127
SMILES COC(C/N=C/C12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O)OC
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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 C27H41NO7 MW 491.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41NO7/c1-24-8-5-20-21(27(24,32)11-7-19(24)17-12-22(30)35-15-17)6-10-26(31)13-18(29)4-9-25(20,26)16-28-14-23(33-2)34-3/h12,16,18-21,23,29,31-32H,4-11,13-15H2,1-3H3/b28-16+/t18?,19?,20-,21?,24+,25?,26?,27?/m0/s1InChIKey
XWFDREYZNGAQBP-MDCZLNDTSA-NSynonyms
(8xi10xi14xi17xi19E)19((22dimethoxyethyl)imino)3514trihydroxycard20(22)enolide
4((3S5S8R9S10R13R14S17R)10((E)((22dimethoxyethyl)imino)methyl)3514trihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
COC(CN=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)OC
InChI=1SC27H41NO7c124852021(27(2432)11719(24)171222(30)351517)61026(31)1318(29)4925(2026)16281423(332)343h1216182123293132H4111315H213H3b2816+t18?19?2021?24+25?26?27?m0s1
MFCD02925731
ZINC000036543778
ZINC000253501683
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