Vitas-M small molecule compound

1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[1-hydroxy-4-(methylsulfanyl)butan-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide

Catalog ID
STL425283
SMILES CSCCC(NC(=O)c1nn(c(c1)c1ccc(cc1)OC)C1CCS(=O)(=O)C1)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 C20H27N3O5S2 MW 453.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O5S2/c1-28-17-5-3-14(4-6-17)19-11-18(20(25)21-15(12-24)7-9-29-2)22-23(19)16-8-10-30(26,27)13-16/h3-6,11,15-16,24H,7-10,12-13H2,1-2H3,(H,21,25)
InChIKey
HXKNITXLAFOQFY-UHFFFAOYSA-N
Synonyms

1(11dioxidotetrahydrothiophen3yl)N((S)1hydroxy4(methylthio)butan2yl)5(4methoxyphenyl)1Hpyrazole3carboxamide
1(11dioxidotetrahydrothiophen3yl)N(1hydroxy4(methylsulfanyl)butan2yl)5(4methoxyphenyl)1Hpyrazole3carboxamide
1(11dioxothiolan3yl)N(1hydroxy4methylsulfanylbutan2yl)5(4methoxyphenyl)pyrazole3carboxamide
COC1=CC=C(C=C1)C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)NC(CCSC)CO
CSCC(C@H)(NC(=O)c1nn(c(c1)c1ccc(cc1)OC)C1CCS(=O)(=O)C1)CO
InChI=1SC20H27N3O5S2c128175314(4617)191118(20(25)2115(1224)79292)2223(19)1681030(2627)1316h3611151624H7101213H212H3(H2125)
MFCD30709882
ZINC000252487532
ZINC000252487537

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Available files

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