Vitas-M small molecule compound
ethyl 3-(3-{(Z)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK623596
SMILES CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)c1cccc(c1C)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)20-10-8-11-22(14-20)30-17(3)13-21(19(30)5)15-23-25(32)29-28(36)31(26(23)33)24-12-7-9-16(2)18(24)4/h7-15H,6H2,1-5H3,(H,29,32,36)/b23-15-InChIKey
XNMNJPDVUQJYSG-HAHDFKILSA-NSynonyms
CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N=C(N(C1=O)c1cccc(c1C)C)S
ethyl3(3((Z)(1(23dimethylphenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
ETHYL3(3((Z)(1(23DIMETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
InChI=1SC28H27N3O4Sc163527(34)201081122(1420)3017(3)1321(19(30)5)152325(32)2928(36)31(26(23)33)24127916(2)18(24)4h715H6H215H3(H293236)b2315
MFCD09790100
ZINC000013800138
ZINC13800138
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