Vitas-M small molecule compound
(3aS,6R,7aR)-N-(4-methoxyphenyl)-1-oxo-2-(pyridin-4-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL548236
SMILES COc1ccc(cc1)NC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)Cc1ccncc1)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 C22H21N3O4 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4/c1-28-16-4-2-15(3-5-16)24-20(26)18-17-6-9-22(29-17)13-25(21(27)19(18)22)12-14-7-10-23-11-8-14/h2-11,17-19H,12-13H2,1H3,(H,24,26)/t17-,18?,19+,22-/m1/s1InChIKey
JVBBGGROWIQFHM-XFCGAFINSA-NSynonyms
(1~(S)5~(R)7~(R))~(N)(4methoxyphenyl)4oxo3(pyridin4ylmethyl)10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)N(4methoxyphenyl)1oxo2(pyridin4ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R7aR)N(4methoxyphenyl)1oxo2(pyridin4ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxamide
135639783
COc1ccc(cc1)NC(=O)(C@@H)1(C@H)2C=C(C@@)3((C@H)1C(=O)N(C3)Cc1ccncc1)O2
InChI=1SC22H21N3O4c128164215(3516)2420(26)18176922(2917)1325(21(27)19(18)22)12147102311814h2111719H1213H21H3(H2426)t1718?19+22m1s1
ZINC000008764717
ZINC000008764718
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