Vitas-M small molecule compound
2-{[(2,2,2-trichloro-1-{[(2-nitrophenyl)carbonyl]amino}ethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK809680
SMILES S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1[N+](=O)[O-])Nc1sc2c(c1C(=O)N)CCCC2
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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 C19H18Cl3N5O4S2 MW 550.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18Cl3N5O4S2/c20-19(21,22)17(24-15(29)9-5-1-3-7-11(9)27(30)31)26-18(32)25-16-13(14(23)28)10-6-2-4-8-12(10)33-16/h1,3,5,7,17H,2,4,6,8H2,(H2,23,28)(H,24,29)(H2,25,26,32)InChIKey
SBGNIBXDNXVWKB-UHFFFAOYSA-NSynonyms
2(((222trichloro1(((2nitrophenyl)carbonyl)amino)ethyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxamide
2((222trichloro1((2nitrobenzoyl)amino)ethyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxamide
C1CCC2=C(C1)C(=C(S2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CC=C3(N+)(=O)(O))C(=O)N
InChI=1SC19H18Cl3N5O4S2c2019(2122)17(2415(29)9513711(9)27(30)31)2618(32)251613(14(23)28)10624812(10)3316h135717H2468H2(H22328)(H2429)(H2252632)
MFCD00548644
S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1(N+)(=O)(O))Nc1sc2c(c1C(=O)N)CCCC2
ZINC000004177643
ZINC000004177644
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