Vitas-M small molecule compound
methyl 2-[({5-chloro-2-[(4-fluorobenzyl)sulfonyl]pyrimidin-4-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK912234
SMILES COC(=O)c1c(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(cc2)F)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 C22H19ClFN3O5S2 MW 523.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClFN3O5S2/c1-32-21(29)17-14-4-2-3-5-16(14)33-20(17)27-19(28)18-15(23)10-25-22(26-18)34(30,31)11-12-6-8-13(24)9-7-12/h6-10H,2-5,11H2,1H3,(H,27,28)InChIKey
FOYOQAJUYHMGRC-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC4=CC=C(C=C4)F
InChI=1SC22H19ClFN3O5S2c13221(29)1714423516(14)3320(17)2719(28)1815(23)102522(2618)34(3031)11126813(24)9712h610H2511H21H3(H2728)
methyl2(((5chloro2((4fluorobenzyl)sulfonyl)pyrimidin4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((5chloro2((4fluorophenyl)methylsulfonyl)pyrimidine4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD07427165
ZINC000098048022
ZINC98048022
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