Vitas-M small molecule compound

2-chloro-N-[2-(6-{(1E)-3-[2,4-dihydroxy-6-oxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5-yl]-3-oxoprop-1-en-1-yl}-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-N-methylbenzamide

Catalog ID
STK599144
SMILES C=CCn1c(O)nc(c(c1=O)C(=O)/C=C/c1c(CCN(C(=O)c2ccccc2Cl)C)cc2c(c1OC)OCO2)O

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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 C28H26ClN3O8 MW 567.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN3O8/c1-4-12-32-27(36)22(25(34)30-28(32)37)20(33)10-9-17-16(14-21-24(23(17)38-3)40-15-39-21)11-13-31(2)26(35)18-7-5-6-8-19(18)29/h4-10,14,34H,1,11-13,15H2,2-3H3,(H,30,37)/b10-9+
InChIKey
NNXKOYZTPNOULY-MDZDMXLPSA-N
Synonyms

2chloroN(2(6((1E)3(24dihydroxy6oxo1(prop2en1yl)16dihydropyrimidin5yl)3oxoprop1en1yl)7methoxy13benzodioxol5yl)ethyl)Nmethylbenzamide
C=CCn1c(O)nc(c(c1=O)C(=O)C=Cc1c(CCN(C(=O)c2ccccc2Cl)C)cc2c(c1OC)OCO2)O
MFCD07797652
ZINC000097968417

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Available files

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