Vitas-M small molecule compound
3,3-dimethyl-1-oxo-N-phenyl-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Catalog ID
STK099277
SMILES O=C1CC(C)(C)CC2=C1C(c1cccnc1)N(C(=S)Nc1ccccc1)c1c(N2)cccc1
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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 C27H26N4OS MW 454.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4OS/c1-27(2)15-21-24(23(32)16-27)25(18-9-8-14-28-17-18)31(22-13-7-6-12-20(22)30-21)26(33)29-19-10-4-3-5-11-19/h3-14,17,25,30H,15-16H2,1-2H3,(H,29,33)InChIKey
CEKXRBDELDNPON-UHFFFAOYSA-NSynonyms
351163-08-133dimethyl1oxoNphenyl11(pyridin3yl)1234511hexahydro10Hdibenzo(be)(14)diazepine10carbothioamide
33dimethyl1oxoNphenyl11(pyridin3yl)34511tetrahydro1Hdibenzo(be)(14)diazepine10(2H)carbothioamide
351163081
99dimethyl7oxoNphenyl6pyridin3yl681011tetrahydrobenzo(b)(14)benzodiazepine5carbothioamide
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NC4=CC=CC=C4)C5=CN=CC=C5)C(=O)C1)C
InChI=1SC27H26N4OSc127(2)152124(23(32)1627)25(189814281718)31(2213761220(22)3021)26(33)2919104351119h314172530H1516H212H3(H2933)
MFCD01952826
O=C1CC(C)(C)CC2=C1C(c1cccnc1)N(C(=S)Nc1ccccc1)c1c(N2)cccc1
STK099277
ZINC000018143842
ZINC000018143844
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