Vitas-M small molecule compound
methyl 11-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK403833
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1cc2OCOc2cc1Cl
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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 C23H21ClN2O5 MW 440.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O5/c1-11-7-16-20(22(27)19(11)23(28)29-2)21(26-15-6-4-3-5-14(15)25-16)12-8-17-18(9-13(12)24)31-10-30-17/h3-6,8-9,11,19,21,25-26H,7,10H2,1-2H3InChIKey
UFPSIIOJOXIKRI-UHFFFAOYSA-NSynonyms
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC5=C(C=C4Cl)OCO5)C(=O)C1C(=O)OC
InChI=1SC23H21ClN2O5c11171620(22(27)19(11)23(28)292)21(2615643514(15)2516)1281718(913(12)24)31103017h36891119212526H710H212H3
methyl11(6chloro13benzodioxol5yl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(6chloro13benzodioxol5yl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632571
ZINC000000720002
ZINC000012385034
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