Vitas-M small molecule compound
methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK304832
SMILES COC(=O)c1c(NC(=O)c2c(I)cnn2C)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 C15H16IN3O3S MW 445.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16IN3O3S/c1-19-12(9(16)7-17-19)13(20)18-14-11(15(21)22-2)8-5-3-4-6-10(8)23-14/h7H,3-6H2,1-2H3,(H,18,20)InChIKey
PSDWQKOEAXOBFO-UHFFFAOYSA-NSynonyms
1005686-81-61005686816
CN1C(=C(C=N1)I)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC
InChI=1SC15H16IN3O3Sc11912(9(16)71719)13(20)181411(15(21)222)8534610(8)2314h7H36H212H3(H1820)
methyl2(((4iodo1methyl1Hpyrazol5yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4iodo2methylpyrazole3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04042781
ZINC000002782143
ZINC02782143
ZINC2782143
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