Vitas-M small molecule compound
2,2-dimethyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)propanamide
Catalog ID
STK862094
SMILES S=C(Nc1ccc(cc1)[N+](=O)[O-])NC(C(Cl)(Cl)Cl)NC(=O)C(C)(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 C14H17Cl3N4O3S MW 427.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17Cl3N4O3S/c1-13(2,3)11(22)19-10(14(15,16)17)20-12(25)18-8-4-6-9(7-5-8)21(23)24/h4-7,10H,1-3H3,(H,19,22)(H2,18,20,25)InChIKey
JDWHYUXNXLFGCZ-UHFFFAOYSA-NSynonyms
22dimethylN(222trichloro1(((4nitrophenyl)carbamothioyl)amino)ethyl)propanamide
22DIMETHYLN(222TRICHLORO1((4NITROPHENYL)CARBAMOTHIOYLAMINO)ETHYL)PROPANAMIDE
CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)(N+)(=O)(O)
InChI=1SC14H17Cl3N4O3Sc113(23)11(22)1910(14(1516)17)2012(25)188469(758)21(23)24h4710H13H3(H1922)(H2182025)
MFCD00549162
S=C(Nc1ccc(cc1)(N+)(=O)(O))NC(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C
ZINC000003878112
ZINC000003878113
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