Vitas-M small molecule compound
ethyl 2-[(2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK125413
SMILES CCOC(=O)c1c(NC(=O)C(Sc2[nH]c(=O)c(c(n2)c2cccc(c2)OC)C#N)CC)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 C27H28N4O5S2 MW 552.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O5S2/c1-4-19(24(33)30-25-21(26(34)36-5-2)17-11-6-7-12-20(17)37-25)38-27-29-22(18(14-28)23(32)31-27)15-9-8-10-16(13-15)35-3/h8-10,13,19H,4-7,11-12H2,1-3H3,(H,30,33)(H,29,31,32)InChIKey
QPKWGPFJCHPUQJ-UHFFFAOYSA-NSynonyms
755001-51-5755001515
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)SC3=NC(=O)C(=C(N3)C4=CC(=CC=C4)OC)C#N
CCOC(=O)c1c(NC(=O)C(Sc2(nH)c(=O)c(c(n2)c2cccc(c2)OC)C#N)CC)sc2c1CCCC2
ethyl2((2((5cyano4(3methoxyphenyl)6oxo16dihydropyrimidin2yl)sulfanyl)butanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2((5cyano6(3methoxyphenyl)4oxo1Hpyrimidin2yl)sulfanyl)butanoylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H28N4O5S2c1419(24(33)302521(26(34)3652)1711671220(17)3725)38272922(18(1428)23(32)3127)15981016(1315)353h8101319H471112H213H3(H3033)(H293132)
MFCD02056547
ZINC000097995356
ZINC000097995357
Check stock
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Check stock on Vitas-MAvailable files
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