Vitas-M small molecule compound
methyl 2-[({1-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl}carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK313473
SMILES COC(=O)c1c(NC(=O)C2CCCN(C2)S(=O)(=O)c2cnn(c2C)C)sc2c1CCCCC2
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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/c1-14-18(12-23-25(14)2)33(29,30)26-11-7-8-15(13-26)20(27)24-21-19(22(28)31-3)16-9-5-4-6-10-17(16)32-21/h12,15H,4-11,13H2,1-3H3,(H,24,27)InChIKey
CPEKKKHLVXDUJO-UHFFFAOYSA-NSynonyms
1005594-27-31005594273
CC1=C(C=NN1C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OC
InChI=1SC22H30N4O5S2c11418(122325(14)2)33(2930)26117815(1326)20(27)242119(22(28)313)1695461017(16)3221h1215H41113H213H3(H2427)
methyl2(((1((15dimethyl1Hpyrazol4yl)sulfonyl)piperidin3yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((1(15dimethylpyrazol4yl)sulfonylpiperidine3carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD04141053
ZINC000002732450
ZINC000002732451
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