Vitas-M small molecule compound
10-[(3,4-dichlorophenyl)carbonyl]-3-(3-fluorophenyl)-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK134947
SMILES COc1ccc(cc1)C1C2=C(Nc3c(N1C(=O)c1ccc(c(c1)Cl)Cl)cccc3)CC(CC2=O)c1cccc(c1)F
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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 C33H25Cl2FN2O3 MW 587.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25Cl2FN2O3/c1-41-24-12-9-19(10-13-24)32-31-28(17-22(18-30(31)39)20-5-4-6-23(36)15-20)37-27-7-2-3-8-29(27)38(32)33(40)21-11-14-25(34)26(35)16-21/h2-16,22,32,37H,17-18H2,1H3InChIKey
OXHAKRSVPWRXSM-UHFFFAOYSA-NSynonyms
10((34dichlorophenyl)carbonyl)3(3fluorophenyl)11(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
10(34dichlorobenzoyl)3(3fluorophenyl)11(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5(34dichlorobenzoyl)9(3fluorophenyl)6(4methoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=CC=C4)F)NC5=CC=CC=C5N2C(=O)C6=CC(=C(C=C6)Cl)Cl
InChI=1SC33H25Cl2FN2O3c1412412919(101324)323128(1722(1830(31)39)2054623(36)1520)3727723829(27)38(32)33(40)21111425(34)26(35)1621h216223237H1718H21H3
MFCD02239605
ZINC000008433080
ZINC000008433083
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