Vitas-M small molecule compound
3-methyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)butanamide
Catalog ID
STK808762
SMILES CC(CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1ccc(cc1)[N+](=O)[O-])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/c1-8(2)7-11(22)19-12(14(15,16)17)20-13(25)18-9-3-5-10(6-4-9)21(23)24/h3-6,8,12H,7H2,1-2H3,(H,19,22)(H2,18,20,25)InChIKey
MSPDJEAUQDFYKH-UHFFFAOYSA-NSynonyms
3methylN(222trichloro1(((4nitrophenyl)carbamothioyl)amino)ethyl)butanamide
3METHYLN(222TRICHLORO1((4NITROPHENYL)CARBAMOTHIOYLAMINO)ETHYL)BUTANAMIDE
3METHYLN(222TRICHLORO1(3(4NITROPHENYL)THIOUREIDO)ETHYL)BUTYRAMIDE
CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)(N+)(=O)(O)
CC(CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1ccc(cc1)(N+)(=O)(O))C
InChI=1SC14H17Cl3N4O3Sc18(2)711(22)1912(14(1516)17)2013(25)1893510(649)21(23)24h36812H7H212H3(H1922)(H2182025)
MFCD00225638
ZINC000003878118
ZINC000003878119
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