Vitas-M small molecule compound
5-(3-chloro-4-methoxyphenyl)-N-[1-hydroxy-4-(methylsulfanyl)butan-2-yl]-1H-pyrazole-4-carboxamide
Catalog ID
STL424943
SMILES CSCCC(NC(=O)c1cn[nH]c1c1ccc(c(c1)Cl)OC)CO
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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 C16H20ClN3O3S MW 369.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20ClN3O3S/c1-23-14-4-3-10(7-13(14)17)15-12(8-18-20-15)16(22)19-11(9-21)5-6-24-2/h3-4,7-8,11,21H,5-6,9H2,1-2H3,(H,18,20)(H,19,22)InChIKey
HUKFSIOVKNXBEG-UHFFFAOYSA-NSynonyms
(S)3(3chloro4methoxyphenyl)N(1hydroxy4(methylthio)butan2yl)1Hpyrazole4carboxamide
5(3chloro4methoxyphenyl)N(1hydroxy4(methylsulfanyl)butan2yl)1Hpyrazole4carboxamide
5(3chloro4methoxyphenyl)N(1hydroxy4methylsulfanylbutan2yl)1Hpyrazole4carboxamide
COC1=C(C=C(C=C1)C2=C(C=NN2)C(=O)NC(CCSC)CO)Cl
CSCC(C@H)(NC(=O)c1c(nH)nc1c1ccc(c(c1)Cl)OC)CO
CSCCC(NC(=O)c1cn(nH)c1c1ccc(c(c1)Cl)OC)CO
InChI=1SC16H20ClN3O3Sc123144310(713(14)17)1512(8182015)16(22)1911(921)56242h34781121H569H212H3(H1820)(H1922)
MFCD30709668
ZINC000218235233
ZINC000230212574
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