Vitas-M small molecule compound
N-cyclopropyl-3,3-dimethyl-11-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Catalog ID
STK206823
SMILES O=C1CC(C)(C)CC2=C1C(c1cccc(c1)[N+](=O)[O-])N(C(=S)NC1CC1)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 C25H26N4O3S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S/c1-25(2)13-19-22(21(30)14-25)23(15-6-5-7-17(12-15)29(31)32)28(24(33)26-16-10-11-16)20-9-4-3-8-18(20)27-19/h3-9,12,16,23,27H,10-11,13-14H2,1-2H3,(H,26,33)InChIKey
SSVKAJVAMBLAER-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NC4CC4)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC25H26N4O3Sc125(2)131922(21(30)1425)23(1565717(1215)29(31)32)28(24(33)2616101116)20943818(20)2719h3912162327H10111314H212H3(H2633)
MFCD04221964
Ncyclopropyl33dimethyl11(3nitrophenyl)1oxo1234511hexahydro10Hdibenzo(be)(14)diazepine10carbothioamide
Ncyclopropyl99dimethyl6(3nitrophenyl)7oxo681011tetrahydrobenzo(b)(14)benzodiazepine5carbothioamide
O=C1CC(C)(C)CC2=C1C(c1cccc(c1)(N+)(=O)(O))N(C(=S)NC1CC1)c1c(N2)cccc1
ZINC000001424398
ZINC000001424399
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