Vitas-M small molecule compound
11-(4-chloro-3-nitrophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK017951
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C26H22ClN3O4 MW 475.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O4/c1-34-18-9-6-15(7-10-18)17-12-22-25(24(31)14-17)26(29-21-5-3-2-4-20(21)28-22)16-8-11-19(27)23(13-16)30(32)33/h2-11,13,17,26,28-29H,12,14H2,1H3InChIKey
SJZPTPZOLUIATD-UHFFFAOYSA-NSynonyms
11(4chloro3nitrophenyl)3(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(4CHLORO3NITROPHENYL)3(4METHOXYPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(4chloro3nitrophenyl)9(4methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5)Cl)(N+)(=O)(O))C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC26H22ClN3O4c134189615(71018)17122225(24(31)1417)26(2921532420(21)2822)1681119(27)23(1316)30(32)33h2111317262829H1214H21H3
MFCD01825170
STK017951
ZINC000000685661
ZINC000000685664
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