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Vitas-M small molecule compound

ethyl 4-cyano-3-methyl-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}thiophene-2-carboxylate

Catalog ID
STK121263
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nnc[nH]1

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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 C13H13N5O3S2 MW 351.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N5O3S2/c1-3-21-12(20)10-7(2)8(4-14)11(23-10)17-9(19)5-22-13-15-6-16-18-13/h6H,3,5H2,1-2H3,(H,17,19)(H,15,16,18)
InChIKey
FEKPSHIGMBOTHA-UHFFFAOYSA-N
Synonyms
693266-23-8
4CYANO3METHYL5((1OXO2(1H124TRIAZOL5YLTHIO)ETHYL)AMINO)2THIOPHENECARBOXYLICACIDETHYLESTER
4CYANO3METHYL5((2(1H124TRIAZOL5YLTHIO)ACETYL)AMINO)THIOPHENE2CARBOXYLICACIDETHYLESTER
693266238
CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=NN2)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nnc(nH)1
ETHYL4CYANO3METHYL5(((1H124TRIAZOL5YLSULFANYL)ACETYL)AMINO)THIOPHENE2CARBOXYLATE
ETHYL4CYANO3METHYL5(((4H124TRIAZOL3YLSULFANYL)ACETYL)AMINO)THIOPHENE2CARBOXYLATE
ETHYL4CYANO3METHYL5(((4H124TRIAZOL3YLTHIO)ACETYL)AMINO)2THIOPHENECARBOXYLATE
ETHYL4CYANO3METHYL5((2(1H124TRIAZOL5YLSULFANYL)ACETYL)AMINO)THIOPHENE2CARBOXYLATE
ETHYL4CYANO3METHYL5(2(1H124TRIAZOL5YLSULFANYL)ETHANOYLAMINO)THIOPHENE2CARBOXYLATE
ethyl5(2((4H124triazol3yl)thio)acetamido)4cyano3methylthiophene2carboxylate
InChI=1SC13H13N5O3S2c132112(20)107(2)8(414)11(2310)179(19)52213156161813h6H35H212H3(H1719)(H151618)
MFCD04128794
ZINC000018094088
ZINC18094088

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Available files

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