Vitas-M small molecule compound
11-(3,4-dichlorophenyl)-10-{[4-(4-fluorophenyl)piperazin-1-yl]acetyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK686231
SMILES Fc1ccc(cc1)N1CCN(CC1)CC(=O)N1c2ccccc2NC2=C(C1c1ccc(c(c1)Cl)Cl)C(=O)CC(C2)(C)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 C33H33Cl2FN4O2 MW 607.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33Cl2FN4O2/c1-33(2)18-27-31(29(41)19-33)32(21-7-12-24(34)25(35)17-21)40(28-6-4-3-5-26(28)37-27)30(42)20-38-13-15-39(16-14-38)23-10-8-22(36)9-11-23/h3-12,17,32,37H,13-16,18-20H2,1-2H3InChIKey
REDLNMWYGSLDET-UHFFFAOYSA-NSynonyms
11(34dichlorophenyl)10((4(4fluorophenyl)piperazin1yl)acetyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(34dichlorophenyl)5(2(4(4fluorophenyl)piperazin1yl)acetyl)99dimethyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CN4CCN(CC4)C5=CC=C(C=C5)F)C6=CC(=C(C=C6)Cl)Cl)C(=O)C1)C
InChI=1SC33H33Cl2FN4O2c133(2)182731(29(41)1933)32(2171224(34)25(35)1721)40(28643526(28)3727)30(42)2038131539(161438)2310822(36)91123h312173237H13161820H212H3
MFCD06015326
ZINC000098007924
ZINC000098007925
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