Vitas-M small molecule compound
2-(5-{(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,4-dimethoxybenzyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK567433
SMILES CCOc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cc(CN3C(=O)c4c(C3=O)cccc4)c(cc2OC)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 C30H25N3O7S MW 571.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O7S/c1-4-40-20-11-9-19(10-12-20)33-29(37)23(26(34)31-30(33)41)14-17-13-18(25(39-3)15-24(17)38-2)16-32-27(35)21-7-5-6-8-22(21)28(32)36/h5-15H,4,16H2,1-3H3,(H,31,34,41)/b23-14+InChIKey
MACYVQCATIQWOR-OEAKJJBVSA-NSynonyms
2((5((E)(1(4ETHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)24DIMETHOXYPHENYL)METHYL)ISOINDOLE13DIONE
2(5((E)(1(4ethoxyphenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)24dimethoxybenzyl)1Hisoindole13(2H)dione
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3OC)OC)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=NC(=O)C(=Cc2cc(CN3C(=O)c4c(C3=O)cccc4)c(cc2OC)OC)C1=O)S
InChI=1SC30H25N3O7Sc14402011919(101220)3329(37)23(26(34)3130(33)41)14171318(25(393)1524(17)382)163227(35)21756822(21)28(32)36h515H416H213H3(H313441)b2314+
MFCD05734000
ZINC000001890092
ZINC1890092
Check stock
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Check stock on Vitas-MAvailable files
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