Vitas-M small molecule compound

methyl 11-(3-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

Catalog ID
STK403813
SMILES COc1cccc(c1)C1Nc2ccccc2NC2=C1C(=O)C(C(C2)C)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 C23H24N2O4 MW 392.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O4/c1-13-11-18-20(22(26)19(13)23(27)29-3)21(14-7-6-8-15(12-14)28-2)25-17-10-5-4-9-16(17)24-18/h4-10,12-13,19,21,24-25H,11H2,1-3H3
InChIKey
AUTHIGPVRCOTLD-UHFFFAOYSA-N
Synonyms

CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=CC=C4)OC)C(=O)C1C(=O)OC
InChI=1SC23H24N2O4c113111820(22(26)19(13)23(27)293)21(1476815(1214)282)25171054916(17)2418h410121319212425H11H213H3
methyl11(3methoxyphenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(3methoxyphenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632550
ZINC000000974277
ZINC000229911090

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.