Vitas-M small molecule compound
ethyl 4-cyano-5-[({[5-(2-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3-methylthiophene-2-carboxylate
Catalog ID
STL445314
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nnc([nH]1)c1ccccc1OCC
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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 C21H21N5O4S2 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S2/c1-4-29-15-9-7-6-8-13(15)18-24-21(26-25-18)31-11-16(27)23-19-14(10-22)12(3)17(32-19)20(28)30-5-2/h6-9H,4-5,11H2,1-3H3,(H,23,27)(H,24,25,26)InChIKey
VPZWQLYZQBSFQL-UHFFFAOYSA-NSynonyms
CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nnc((nH)1)c1ccccc1OCC
CCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C#N
ethyl4cyano5((((5(2ethoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)3methylthiophene2carboxylate
ethyl4cyano5((2((5(2ethoxyphenyl)1H124triazol3yl)sulfanyl)acetyl)amino)3methylthiophene2carboxylate
InChI=1SC21H21N5O4S2c142915976813(15)182421(262518)311116(27)231914(1022)12(3)17(3219)20(28)3052h69H4511H213H3(H2327)(H242526)
MFCD05841732
ZINC000014162046
ZINC14162046
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