Vitas-M small molecule compound

[4-{(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid

Catalog ID
STK187920
SMILES C=CCc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c2ccc(cc2)CC)cc(c1OCC(=O)O)OC

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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 C25H24N2O6S MW 480.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O6S/c1-4-6-17-11-16(13-20(32-3)22(17)33-14-21(28)29)12-19-23(30)26-25(34)27(24(19)31)18-9-7-15(5-2)8-10-18/h4,7-13H,1,5-6,14H2,2-3H3,(H,28,29)(H,26,30,34)/b19-12-
InChIKey
USCAZKBPMRKHHR-UNOMPAQXSA-N
Synonyms

(4((Z)(1(4ETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXY6(PROP2EN1YL)PHENOXY)ACETICACID
2(4((Z)(1(4ethylphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)2methoxy6prop2enylphenoxy)aceticacid
C=CCc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2)CC)cc(c1OCC(=O)O)OC
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OC)OCC(=O)O)CC=C)C(=O)NC2=S
InChI=1SC25H24N2O6Sc146171116(1320(323)22(17)331421(28)29)121923(30)2625(34)27(24(19)31)189715(52)81018h4713H15614H223H3(H2829)(H263034)b1912
MFCD02905012
ZINC000009311396
ZINC9311396

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Available files

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