Vitas-M small molecule compound

3-(3,4-dimethoxyphenyl)-11-(4-methyl-3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK089919
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(c(c1)[N+](=O)[O-])C

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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 C28H27N3O5 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O5/c1-16-8-9-18(13-23(16)31(33)34)28-27-22(29-20-6-4-5-7-21(20)30-28)12-19(14-24(27)32)17-10-11-25(35-2)26(15-17)36-3/h4-11,13,15,19,28-30H,12,14H2,1-3H3
InChIKey
QOMGRRPMWDCDNA-UHFFFAOYSA-N
Synonyms
4357-50-0
3(34dimethoxyphenyl)11(4methyl3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(34DIMETHOXYPHENYL)11(4METHYL3NITROPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
4357500
9(34dimethoxyphenyl)6(4methyl3nitrophenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C5N2)(N+)(=O)(O)
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC28H27N3O5c1168918(1323(16)31(33)34)282722(2920645721(20)3028)1219(1424(27)32)17101125(352)26(1517)363h4111315192830H1214H213H3
MFCD02104312
STK089919
ZINC000001481059
ZINC000001481062

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Available files

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