Vitas-M small molecule compound

2-(2,4-dimethoxy-5-{(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}benzyl)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK567840
SMILES COc1cc(OC)c(cc1/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)C)S)CN1C(=O)c2c(C1=O)cccc2

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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/c1-16-8-10-19(11-9-16)32-28(36)22(25(33)30-29(32)39)13-17-12-18(24(38-3)14-23(17)37-2)15-31-26(34)20-6-4-5-7-21(20)27(31)35/h4-14H,15H2,1-3H3,(H,30,33,39)/b22-13+
InChIKey
UESXRTPKKXHHLM-LPYMAVHISA-N
Synonyms
714286-80-3
714286803
COc1cc(OC)c(cc1C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)C)S)CN1C(=O)c2c(C1=O)cccc2
MFCD05726572
ZINC000001295081

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Available files

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