Vitas-M small molecule compound
methyl 11-[4-(benzyloxy)-3-methoxyphenyl]-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK003760
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1ccc(c(c1)OC)OCc1ccccc1
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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 C30H30N2O5 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O5/c1-18-15-23-27(29(33)26(18)30(34)36-3)28(32-22-12-8-7-11-21(22)31-23)20-13-14-24(25(16-20)35-2)37-17-19-9-5-4-6-10-19/h4-14,16,18,26,28,31-32H,15,17H2,1-3H3InChIKey
BNPLJGBQUAPUSS-UHFFFAOYSA-NSynonyms
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1ccc(c(c1)OC)OCc1ccccc1
InChI=1SC30H30N2O5c118152327(29(33)26(18)30(34)363)28(322212871121(22)3123)20131424(25(1620)352)37171995461019h414161826283132H1517H213H3
methyl11(4(benzyloxy)3methoxyphenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(3methoxy4phenylmethoxyphenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632438
STK003760
ZINC000012285195
ZINC000101903848
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