Vitas-M small molecule compound

methyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(4-chlorophenyl)carbonyl]amino}-3,3,3-trifluoroalaninate

Catalog ID
STK537839
SMILES COC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCCC2)NC(=O)c1ccc(cc1)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 C20H19ClF3N3O4S MW 489.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClF3N3O4S/c1-31-18(30)19(20(22,23)24,26-16(29)10-6-8-11(21)9-7-10)27-17-14(15(25)28)12-4-2-3-5-13(12)32-17/h6-9,27H,2-5H2,1H3,(H2,25,28)(H,26,29)
InChIKey
SKDKIYCWIKLJPC-UHFFFAOYSA-N
Synonyms
352317-71-6
352317716
COC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)Cl
InChI=1SC20H19ClF3N3O4Sc13118(30)19(20(2223)242616(29)106811(21)9710)271714(15(25)28)12423513(12)3217h6927H25H21H3(H22528)(H2629)
methyl2((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)2((4chlorobenzoyl)amino)333trifluoropropanoate
methyl2((3carbamoyl4567tetrahydrobenzo(b)thiophen2yl)amino)2(4chlorobenzamido)333trifluoropropanoate
methylN(3carbamoyl4567tetrahydro1benzothiophen2yl)2(((4chlorophenyl)carbonyl)amino)333trifluoroalaninate
MFCD01949274
ZINC000002050153
ZINC000002050154

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Available files

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