Vitas-M small molecule compound
11-(3,4-dimethoxyphenyl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Catalog ID
STK868281
SMILES COc1ccc(cc1OC)C1C2=C(Nc3c(N1C(=S)Nc1ccccc1)cccc3)CC(CC2=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 C30H31N3O3S MW 513.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O3S/c1-30(2)17-22-27(24(34)18-30)28(19-14-15-25(35-3)26(16-19)36-4)33(23-13-9-8-12-21(23)32-22)29(37)31-20-10-6-5-7-11-20/h5-16,28,32H,17-18H2,1-4H3,(H,31,37)InChIKey
DRNCZVLJDCPAIQ-UHFFFAOYSA-NSynonyms
312621-43-511(34dimethoxyphenyl)33dimethyl1oxoNphenyl1234511hexahydro10Hdibenzo(be)(14)diazepine10carbothioamide
11(34dimethoxyphenyl)33dimethyl1oxoNphenyl34511tetrahydro1Hdibenzo(be)(14)diazepine10(2H)carbothioamide
312621435
6(34dimethoxyphenyl)99dimethyl7oxoNphenyl681011tetrahydrobenzo(b)(14)benzodiazepine5carbothioamide
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)C(=O)C1)C
InChI=1SC30H31N3O3Sc130(2)172227(24(34)1830)28(19141525(353)26(1619)364)33(2313981221(23)3222)29(37)3120106571120h5162832H1718H214H3(H3137)
MFCD01811010
ZINC000008916891
ZINC000008916893
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