Vitas-M small molecule compound
2-(3-{(E)-[1-(3,4-dimethylphenyl)-4,6-dioxo-3-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK028284
SMILES N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccc(c(c1)C)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 C34H30N4O2S2 MW 590.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N4O2S2/c1-20-14-15-26(16-21(20)2)38-32(40)28(31(39)37(34(38)41)25-10-6-5-7-11-25)18-24-17-22(3)36(23(24)4)33-29(19-35)27-12-8-9-13-30(27)42-33/h5-7,10-11,14-18H,8-9,12-13H2,1-4H3/b28-18+InChIKey
QJAHATHRNCJIKW-MTDXEUNCSA-NSynonyms
2(3((E)(1(34dimethylphenyl)46dioxo3phenyl2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((E)(1(34dimethylphenyl)46dioxo3phenyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=C(C5=C(S4)CCCC5)C#N)C)C(=O)N(C2=S)C6=CC=CC=C6)C
InChI=1SC34H30N4O2S2c120141526(1621(20)2)3832(40)28(31(39)37(34(38)41)25106571125)18241722(3)36(23(24)4)3329(1935)2712891330(27)4233h5710111418H891213H214H3b2818+
MFCD02378841
N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccc(c(c1)C)C
STK028284
ZINC000097958121
ZINC97958121
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