Vitas-M small molecule compound
ethyl 2-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK380958
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(c(c2)[N+](=O)[O-])C)sc2c1CCCC2
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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 C20H21N3O5S2 MW 447.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O5S2/c1-3-28-19(25)16-13-6-4-5-7-15(13)30-18(16)22-20(29)21-17(24)12-9-8-11(2)14(10-12)23(26)27/h8-10H,3-7H2,1-2H3,(H2,21,22,24,29)InChIKey
TVOYHGTUYYJWPH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)C)(N+)(=O)(O)
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(c(c2)(N+)(=O)(O))C)sc2c1CCCC2
ethyl2((((4methyl3nitrophenyl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4methyl3nitrobenzoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H21N3O5S2c132819(25)1613645715(13)3018(16)2220(29)2117(24)129811(2)14(1012)23(26)27h810H37H212H3(H221222429)
MFCD03648635
ZINC000008721688
ZINC08721688
ZINC8721688
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