Vitas-M small molecule compound
methyl 2-{3-[(Z)-(1-cyclohexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK589699
SMILES COC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)C1CCCCC1)O
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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 C27H31N3O5S MW 509.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O5S/c1-15-13-17(14-20-23(31)28-27(34)30(24(20)32)18-9-5-4-6-10-18)16(2)29(15)25-22(26(33)35-3)19-11-7-8-12-21(19)36-25/h13-14,18H,4-12H2,1-3H3,(H,28,31,34)/b20-14-InChIKey
YMSXRWWMASNKMM-ZHZULCJRSA-NSynonyms
370575-62-5COC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=NC(=O)N(C1=O)C1CCCCC1)O
methyl2(3((Z)(1cyclohexyl4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
MFCD07199482
ZINC000013551313
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Check stock on Vitas-MAvailable files
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