Vitas-M small molecule compound
ethyl 4-(3-{(E)-[1-(3,5-dimethylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK604652
SMILES CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)N=C(N(C1=O)c1cc(C)cc(c1)C)S
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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 C28H27N3O4S MW 501.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O4S/c1-6-35-27(34)20-7-9-22(10-8-20)30-18(4)14-21(19(30)5)15-24-25(32)29-28(36)31(26(24)33)23-12-16(2)11-17(3)13-23/h7-15H,6H2,1-5H3,(H,29,32,36)/b24-15+InChIKey
WWJHOQRFSSOSBN-BUVRLJJBSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC(=C4)C)C)C
CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=C(N(C1=O)c1cc(C)cc(c1)C)S
ETHYL4(3((1(35DIMETHYLPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
ethyl4(3((E)(1(35dimethylphenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
ETHYL4(3((E)(1(35DIMETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
InChI=1SC28H27N3O4Sc163527(34)207922(10820)3018(4)1421(19(30)5)152425(32)2928(36)31(26(24)33)231216(2)1117(3)1323h715H6H215H3(H293236)b2415+
MFCD08732559
ZINC000008738201
ZINC8738201
Check stock
See real-time availability and sample size for STK604652 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.