Vitas-M small molecule compound
methyl 2-{[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK200282
SMILES COC(=O)c1c(/N=C/c2c(C)nn(c2O)c2ccccc2)sc2c1CCCC2
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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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-13-16(20(25)24(23-13)14-8-4-3-5-9-14)12-22-19-18(21(26)27-2)15-10-6-7-11-17(15)28-19/h3-5,8-9,12,25H,6-7,10-11H2,1-2H3/b22-12+InChIKey
CRIUMLCQDJOMDZ-WSDLNYQXSA-NSynonyms
COC(=O)c1c(N=Cc2c(C)nn(c2O)c2ccccc2)sc2c1CCCC2
methyl2(((E)(5hydroxy3methyl1phenyl1Hpyrazol4yl)methylidene)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01149718
ZINC000004739514
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