Vitas-M small molecule compound
methyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(2,4-dichlorophenyl)carbonyl]amino}-3,3,3-trifluoroalaninate
Catalog ID
STK763277
SMILES COC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCCC2)NC(=O)c1ccc(cc1Cl)Cl
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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 C20H18Cl2F3N3O4S MW 524.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl2F3N3O4S/c1-32-18(31)19(20(23,24)25,27-16(30)10-7-6-9(21)8-12(10)22)28-17-14(15(26)29)11-4-2-3-5-13(11)33-17/h6-8,28H,2-5H2,1H3,(H2,26,29)(H,27,30)InChIKey
OBSUEAGHBDPXAB-UHFFFAOYSA-NSynonyms
352317-50-1352317501
COC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC20H18Cl2F3N3O4Sc13218(31)19(20(2324)252716(30)10769(21)812(10)22)281714(15(26)29)11423513(11)3317h6828H25H21H3(H22629)(H2730)
methyl2((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)2((24dichlorobenzoyl)amino)333trifluoropropanoate
methyl2((3carbamoyl4567tetrahydrobenzo(b)thiophen2yl)amino)2(24dichlorobenzamido)333trifluoropropanoate
methylN(3carbamoyl4567tetrahydro1benzothiophen2yl)2(((24dichlorophenyl)carbonyl)amino)333trifluoroalaninate
MFCD01944312
ZINC000002050139
ZINC000002050140
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