Vitas-M small molecule compound
methyl 3-chloro-6-({[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}amino)-1-benzothiophene-2-carboxylate
Catalog ID
STK311652
SMILES COc1ccc(cc1)c1[nH]nc(c1)C(=O)Nc1ccc2c(c1)sc(c2Cl)C(=O)OC
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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 C21H16ClN3O4S MW 441.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O4S/c1-28-13-6-3-11(4-7-13)15-10-16(25-24-15)20(26)23-12-5-8-14-17(9-12)30-19(18(14)22)21(27)29-2/h3-10H,1-2H3,(H,23,26)(H,24,25)InChIKey
HRQXFLUPQXYDPQ-UHFFFAOYSA-NSynonyms
1092104-07-81092104078
COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl
COc1ccc(cc1)c1(nH)nc(c1)C(=O)Nc1ccc2c(c1)sc(c2Cl)C(=O)OC
InChI=1SC21H16ClN3O4Sc128136311(4713)151016(252415)20(26)2312581417(912)3019(18(14)22)21(27)292h310H12H3(H2326)(H2425)
methyl3chloro6(((5(4methoxyphenyl)1Hpyrazol3yl)carbonyl)amino)1benzothiophene2carboxylate
methyl3chloro6((3(4methoxyphenyl)1Hpyrazole5carbonyl)amino)1benzothiophene2carboxylate
MFCD04139399
ZINC000013960307
ZINC13960307
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