Vitas-M small molecule compound

methyl 11-(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
STK054153
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1ccc2c(c1)OCO2

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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 C23H22N2O5 MW 406.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5/c1-12-9-16-20(22(26)19(12)23(27)28-2)21(25-15-6-4-3-5-14(15)24-16)13-7-8-17-18(10-13)30-11-29-17/h3-8,10,12,19,21,24-25H,9,11H2,1-2H3
InChIKey
PTSGEBKUSHICCU-UHFFFAOYSA-N
Synonyms

CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1ccc2c(c1)OCO2
InChI=1SC23H22N2O5c11291620(22(26)19(12)23(27)282)21(2515643514(15)2416)13781718(1013)30112917h38101219212425H911H212H3
methyl11(13benzodioxol5yl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(13benzodioxol5yl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03489132
STK054153
ZINC000012385052
ZINC000012385055

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Available files

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