Vitas-M small molecule compound
methyl 2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK429703
SMILES COC(=O)c1c(sc2c1CCC(C2)c1ccccc1)NC(=O)c1ccnn1C
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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/c1-24-16(10-11-22-24)19(25)23-20-18(21(26)27-2)15-9-8-14(12-17(15)28-20)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,23,25)InChIKey
WXVZYKHGPAYDBS-UHFFFAOYSA-NSynonyms
CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C(=O)OC
InChI=1SC21H21N3O3Sc12416(10112224)19(25)232018(21(26)272)159814(1217(15)2820)136435713h37101114H8912H212H3(H2325)
methyl2(((1methyl1Hpyrazol5yl)carbonyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
methyl2((2methylpyrazole3carbonyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
MFCD03233491
ZINC000002730397
ZINC000002730398
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Check stock on Vitas-MAvailable files
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