Vitas-M small molecule compound
methyl 3-(3-{(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK631344
SMILES CCc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2)C(=O)OC)C)/C1=O)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 C27H25N3O4S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S/c1-5-18-9-11-21(12-10-18)30-25(32)23(24(31)28-27(30)35)15-20-13-16(2)29(17(20)3)22-8-6-7-19(14-22)26(33)34-4/h6-15H,5H2,1-4H3,(H,28,31,35)/b23-15+InChIKey
AYGXALWKXGIUSR-HZHRSRAPSA-NSynonyms
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC(=C4)C(=O)OC)C)C(=O)NC2=S
CCc1ccc(cc1)N1C(=NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2)C(=O)OC)C)C1=O)S
InChI=1SC27H25N3O4Sc151891121(121018)3025(32)23(24(31)2827(30)35)15201316(2)29(17(20)3)2286719(1422)26(33)344h615H5H214H3(H283135)b2315+
methyl3(3((E)(1(4ethylphenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
METHYL3(3((E)(1(4ETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD09790697
ZINC000013552399
ZINC13552399
Check stock
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Check stock on Vitas-MAvailable files
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