Vitas-M small molecule compound
4-(3-{(Z)-[1-(4-butylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK614014
SMILES CCCCc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)C(=O)O)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 C28H27N3O4S MW 501.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O4S/c1-4-5-6-19-7-11-23(12-8-19)31-26(33)24(25(32)29-28(31)36)16-21-15-17(2)30(18(21)3)22-13-9-20(10-14-22)27(34)35/h7-16H,4-6H2,1-3H3,(H,34,35)(H,29,32,36)/b24-16-InChIKey
NJWOLONOGCZQOL-JLPGSUDCSA-NSynonyms
CCCCc1ccc(cc1)N1C(=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C(=O)O)C)C1=O)S
MFCD08736276
ZINC000009311130
Check stock
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Check stock on Vitas-MAvailable files
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