Vitas-M small molecule compound
(3aS,6R,7R,7aS)-2-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL535379
SMILES COc1ccc(cc1)NC(=O)[C@H]1[C@@H]2C=C[C@@]3([C@H]1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2
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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 C26H25N3O4 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4/c1-32-18-8-6-17(7-9-18)28-24(30)22-21-10-12-26(33-21)15-29(25(31)23(22)26)13-11-16-14-27-20-5-3-2-4-19(16)20/h2-10,12,14,21-23,27H,11,13,15H2,1H3,(H,28,30)/t21-,22+,23-,26-/m1/s1InChIKey
GQSLKPPTVBXLHB-ZGXDEKTJSA-NSynonyms
(1~(S)5~(S)6~(R)7~(R))3(2(1~(H)indol3yl)ethyl)~(N)(4methoxyphenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R7R7aS)2(2(1Hindol3yl)ethyl)N(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
40854863
COc1ccc(cc1)NC(=O)(C@@H)1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCc1c(nH)c3c1cccc3)O2
InChI=1SC26H25N3O4c132188617(7918)2824(30)2221101226(3321)1529(25(31)23(22)26)131116142720532419(16)20h2101214212327H111315H21H3(H2830)t2122+2326m1s1
MFCD09790899
ZINC000008879757
ZINC8879757
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