Vitas-M small molecule compound
10-acetyl-3-(4-methylphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK315955
SMILES Cc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)[N+](=O)[O-])C(=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 C28H25N3O4 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4/c1-17-10-12-19(13-11-17)21-15-24-27(26(33)16-21)28(20-6-5-7-22(14-20)31(34)35)30(18(2)32)25-9-4-3-8-23(25)29-24/h3-14,21,28-29H,15-16H2,1-2H3InChIKey
QINLFDCPKVGOAP-UHFFFAOYSA-NSynonyms
438538-01-310acetyl3(4methylphenyl)11(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
438538013
5acetyl9(4methylphenyl)6(3nitrophenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C2
Cc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)(N+)(=O)(O))C(=O)C
InChI=1SC28H25N3O4c117101219(131117)21152427(26(33)1621)28(2065722(1420)31(34)35)30(18(2)32)25943823(25)2924h314212829H1516H212H3
MFCD02175034
ZINC000001003441
ZINC000001003444
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