Vitas-M small molecule compound
ethyl 2-{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK188155
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)N(C)C(=S)N(C1=O)C
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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 C24H27N3O4S2 MW 485.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O4S2/c1-6-31-23(30)19-16-9-7-8-10-18(16)33-22(19)27-13(2)11-15(14(27)3)12-17-20(28)25(4)24(32)26(5)21(17)29/h11-12H,6-10H2,1-5H3InChIKey
PTNSVNWVSZUQOG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)N(C(=S)N(C4=O)C)C)C
ethyl2(3((13dimethyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3((13dimethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H27N3O4S2c163123(30)19169781018(16)3322(19)2713(2)1115(14(27)3)121720(28)25(4)24(32)26(5)21(17)29h1112H610H215H3
MFCD02779421
ZINC000000631979
ZINC00631979
ZINC631979
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