Vitas-M small molecule compound
2-{2-methoxy-5-[(E)-(1-methyl-4,6-dioxo-3-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]benzyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STK532805
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C/1\C(=O)N(C)C(=S)N(C1=O)c1ccccc1
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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 C28H21N3O5S MW 511.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O5S/c1-29-24(32)22(27(35)31(28(29)37)19-8-4-3-5-9-19)15-17-12-13-23(36-2)18(14-17)16-30-25(33)20-10-6-7-11-21(20)26(30)34/h3-15H,16H2,1-2H3/b22-15+InChIKey
WRDDSBNNEXAZEF-PXLXIMEGSA-NSynonyms
(E)2(2methoxy5((1methyl46dioxo3phenyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)benzyl)isoindoline13dione
2((2METHOXY5((E)(1METHYL46DIOXO3PHENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENYL)METHYL)ISOINDOLE13DIONE
2(2methoxy5((E)(1methyl46dioxo3phenyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)benzyl)1Hisoindole13(2H)dione
CN1C(=O)C(=CC2=CC(=C(C=C2)OC)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)N(C1=S)C5=CC=CC=C5
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C=C1C(=O)N(C)C(=S)N(C1=O)c1ccccc1
InChI=1SC28H21N3O5Sc12924(32)22(27(35)31(28(29)37)198435919)1517121323(362)18(1417)163025(33)2010671121(20)26(30)34h315H16H212H3b2215+
MFCD01960310
ZINC000009310599
ZINC09310599
ZINC9310599
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