Vitas-M small molecule compound
2-{2-methoxy-5-[(Z)-(1-methyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]benzyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STL038488
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)N=C(N(C1=O)C)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 C22H17N3O5S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O5S/c1-24-19(27)16(18(26)23-22(24)31)10-12-7-8-17(30-2)13(9-12)11-25-20(28)14-5-3-4-6-15(14)21(25)29/h3-10H,11H2,1-2H3,(H,23,26,31)/b16-10-InChIKey
MQGLBRQHGMNRKF-YBEGLDIGSA-NSynonyms
373613-38-82((2METHOXY5((Z)(1METHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENYL)METHYL)ISOINDOLE13DIONE
2(2methoxy5((Z)(1methyl46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)benzyl)1Hisoindole13(2H)dione
373613388
CN1C(=O)C(=CC2=CC(=C(C=C2)OC)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)NC1=S
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C=C1C(=O)N=C(N(C1=O)C)S
InChI=1SC22H17N3O5Sc12419(27)16(18(26)2322(24)31)10127817(302)13(912)112520(28)14534615(14)21(25)29h310H11H212H3(H232631)b1610
MFCD03812913
ZINC000017161137
ZINC17161137
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