Vitas-M small molecule compound
ethyl 2-[({1-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK313514
SMILES CCOC(=O)c1c(NC(=O)C2CCCN(C2)S(=O)(=O)c2cnn(c2C)C)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 C22H30N4O5S2 MW 494.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O5S2/c1-4-31-22(28)19-16-9-5-6-10-17(16)32-21(19)24-20(27)15-8-7-11-26(13-15)33(29,30)18-12-23-25(3)14(18)2/h12,15H,4-11,13H2,1-3H3,(H,24,27)InChIKey
FLGMDDOVRVOBOP-UHFFFAOYSA-NSynonyms
1005568-50-21005568502
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=C(N(N=C4)C)C
ethyl2(((1((15dimethyl1Hpyrazol4yl)sulfonyl)piperidin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((1(15dimethylpyrazol4yl)sulfonylpiperidine3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H30N4O5S2c143122(28)19169561017(16)3221(19)2420(27)15871126(1315)33(2930)18122325(3)14(18)2h1215H41113H213H3(H2427)
MFCD04141200
ZINC000002732611
ZINC000002732612
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