Vitas-M small molecule compound
methyl 2-({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK808835
SMILES COC(=O)c1c(sc2c1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)Cc1ccccc1
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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 C20H21Cl3N2O3S MW 475.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Cl3N2O3S/c1-28-18(27)16-13-9-5-6-10-14(13)29-17(16)25-19(20(21,22)23)24-15(26)11-12-7-3-2-4-8-12/h2-4,7-8,19,25H,5-6,9-11H2,1H3,(H,24,26)InChIKey
ZKHQDNKSQYOJJR-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)CC3=CC=CC=C3
InChI=1SC20H21Cl3N2O3Sc12818(27)16139561014(13)2917(16)2519(20(2122)23)2415(26)11127324812h24781925H56911H21H3(H2426)
methyl2((222trichloro1((2phenylacetyl)amino)ethyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((222trichloro1((phenylacetyl)amino)ethyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD00615985
ZINC000002667194
ZINC000002667195
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