Vitas-M small molecule compound
prop-2-en-1-yl 4-(2-chlorophenyl)-5-cyano-2-methyl-5-(prop-2-en-1-yl)-6-thioxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STL337542
SMILES C=CCOC(=O)C1=C(C)NC(=S)C(C1c1ccccc1Cl)(C#N)CC=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 C20H19ClN2O2S MW 386.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O2S/c1-4-10-20(12-22)17(14-8-6-7-9-15(14)21)16(13(3)23-19(20)26)18(24)25-11-5-2/h4-9,17H,1-2,10-11H2,3H3,(H,23,26)InChIKey
SNVDSJZFACZEPJ-UHFFFAOYSA-NSynonyms
799794-35-7799794357
allyl5allyl4(2chlorophenyl)5cyano2methyl6thioxo1456tetrahydropyridine3carboxylate
CC1=C(C(C(C(=S)N1)(CC=C)C#N)C2=CC=CC=C2Cl)C(=O)OCC=C
InChI=1SC20H19ClN2O2Sc141020(1222)17(14867915(14)21)16(13(3)2319(20)26)18(24)251152h4917H121011H23H3(H2326)
MFCD03676992
prop2en1yl4(2chlorophenyl)5cyano2methyl5(prop2en1yl)6thioxo1456tetrahydropyridine3carboxylate
PROP2ENYL4(2CHLOROPHENYL)5CYANO2METHYL5PROP2ENYL6SULFANYLIDENE14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000100969379
ZINC000100969391
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