Vitas-M small molecule compound
ethyl 2-{3-[(E)-{1-[4-(butan-2-yl)phenyl]-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
STL374940
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(CC)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 C32H35N3O4S2 MW 589.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N3O4S2/c1-6-18(3)21-12-14-23(15-13-21)35-29(37)25(28(36)33-32(35)40)17-22-16-19(4)34(20(22)5)30-27(31(38)39-7-2)24-10-8-9-11-26(24)41-30/h12-18H,6-11H2,1-5H3,(H,33,36,40)/b25-17+InChIKey
GHTPEBZIOIQCMY-KOEQRZSOSA-NSynonyms
CCC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=C(C5=C(S4)CCCC5)C(=O)OCC)C)C(=O)NC2=S
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(CC)C
ethyl2(3((E)(1(4(butan2yl)phenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3((E)(1(4butan2ylphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC32H35N3O4S2c1618(3)21121423(151321)3529(37)25(28(36)3332(35)40)17221619(4)34(20(22)5)3027(31(38)3972)2410891126(24)4130h1218H611H215H3(H333640)b2517+
MFCD02192561
ZINC000100209910
ZINC000100209921
Check stock
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Check stock on Vitas-MAvailable files
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