Vitas-M small molecule compound
3,3-dimethyl-11-(4-nitrophenyl)-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Catalog ID
STL169411
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)[N+](=O)[O-])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 C28H26N4O3S MW 498.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O3S/c1-28(2)16-22-25(24(33)17-28)26(18-12-14-20(15-13-18)32(34)35)31(23-11-7-6-10-21(23)30-22)27(36)29-19-8-4-3-5-9-19/h3-15,26,30H,16-17H2,1-2H3,(H,29,36)InChIKey
WCUPTPSULLBYOX-UHFFFAOYSA-NSynonyms
371956-04-633dimethyl11(4nitrophenyl)1oxoNphenyl1234511hexahydro10Hdibenzo(be)(14)diazepine10carbothioamide
33dimethyl11(4nitrophenyl)1oxoNphenyl34511tetrahydro1Hdibenzo(be)(14)diazepine10(2H)carbothioamide
371956046
99dimethyl6(4nitrophenyl)7oxoNphenyl681011tetrahydrobenzo(b)(14)benzodiazepine5carbothioamide
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC28H26N4O3Sc128(2)162225(24(33)1728)26(18121420(151318)32(34)35)31(2311761021(23)3022)27(36)29198435919h3152630H1617H212H3(H2936)
MFCD01811041
O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)(N+)(=O)(O))N(C(=S)Nc1ccccc1)c1c(N2)cccc1
ZINC000018101261
ZINC000018156728
Check stock
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