Vitas-M small molecule compound

ethyl 2-({[(5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STL368405
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc([nH]2)Cc2ccccc2)sc(c1C)C

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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 C20H22N4O3S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S2/c1-4-27-19(26)17-12(2)13(3)29-18(17)22-16(25)11-28-20-21-15(23-24-20)10-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKey
HKPVEHNEYHXHEH-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NNC(=N2)CC3=CC=CC=C3
CCOC(=O)c1c(NC(=O)CSc2nnc((nH)2)Cc2ccccc2)sc(c1C)C
ethyl2((((5benzyl4H124triazol3yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2((5BENZYL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H22N4O3S2c142719(26)1712(2)13(3)2918(17)2216(25)1128202115(232420)10148657914h59H41011H213H3(H2225)(H212324)
MFCD05842908
ZINC000015019370
ZINC15019370

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Available files

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