Vitas-M small molecule compound
2-(5-{(Z)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK565794
SMILES CCOc1ccc(cc1)N1C(=NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/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 C29H23N3O6S MW 541.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O6S/c1-3-38-20-11-9-19(10-12-20)32-28(36)23(25(33)30-29(32)39)15-17-8-13-24(37-2)18(14-17)16-31-26(34)21-6-4-5-7-22(21)27(31)35/h4-15H,3,16H2,1-2H3,(H,30,33,39)/b23-15-InChIKey
UGTVPKVILLAWLU-HAHDFKILSA-NSynonyms
372971-50-12((5((Z)(1(4ETHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)METHYL)ISOINDOLE13DIONE
2(5((Z)(1(4ethoxyphenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)2methoxybenzyl)1Hisoindole13(2H)dione
372971501
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=NC(=O)C(=Cc2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)C1=O)S
InChI=1SC29H23N3O6Sc13382011919(101220)3228(36)23(25(33)3029(32)39)151781324(372)18(1417)163126(34)21645722(21)27(31)35h415H316H212H3(H303339)b2315
MFCD03796152
ZINC000097967166
ZINC97967166
Check stock
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Check stock on Vitas-MAvailable files
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