Vitas-M small molecule compound
10-acetyl-3-[4-(dimethylamino)phenyl]-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK042358
SMILES CN(c1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccs1)C(=O)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 C27H27N3O2S MW 457.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S/c1-17(31)30-23-8-5-4-7-21(23)28-22-15-19(18-10-12-20(13-11-18)29(2)3)16-24(32)26(22)27(30)25-9-6-14-33-25/h4-14,19,27-28H,15-16H2,1-3H3InChIKey
DMWDXODJVBEXCB-UHFFFAOYSA-NSynonyms
10acetyl3(4(dimethylamino)phenyl)11(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5acetyl9(4(dimethylamino)phenyl)6thiophen2yl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)N(C)C)NC4=CC=CC=C41)C5=CC=CS5
CN(c1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccs1)C(=O)C)C
InChI=1SC27H27N3O2Sc117(31)3023854721(23)28221519(18101220(131118)29(2)3)1624(32)26(22)27(30)2596143325h414192728H1516H213H3
MFCD03145152
STK042358
ZINC000018324923
ZINC000018324932
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