Vitas-M small molecule compound
2-{5-[(Z)-(1-butyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-2-methoxybenzyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STK559148
SMILES CCCCN1C(=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 C25H23N3O5S MW 477.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5S/c1-3-4-11-27-24(32)19(21(29)26-25(27)34)13-15-9-10-20(33-2)16(12-15)14-28-22(30)17-7-5-6-8-18(17)23(28)31/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,26,29,34)/b19-13-InChIKey
YGWNPNYEAAURGM-UYRXBGFRSA-NSynonyms
373370-58-22((5((Z)(1BUTYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)METHYL)ISOINDOLE13DIONE
2(5((Z)(1butyl46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)2methoxybenzyl)1Hisoindole13(2H)dione
373370582
CCCCN1C(=NC(=O)C(=Cc2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)C1=O)S
CCCCN1C(=O)C(=CC2=CC(=C(C=C2)OC)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)NC1=S
InChI=1SC25H23N3O5Sc134112724(32)19(21(29)2625(27)34)131591020(332)16(1215)142822(30)17756818(17)23(28)31h5101213H341114H212H3(H262934)b1913
MFCD03800501
ZINC000013766171
ZINC08837650
ZINC13766171
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