Vitas-M small molecule compound
2-[(4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile
Catalog ID
STK190212
SMILES C=CCN1C(=S)NC(=O)/C(=C/c2ccc(c(c2)OC)OCc2ccccc2C#N)/C1=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 C23H19N3O4S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O4S/c1-3-10-26-22(28)18(21(27)25-23(26)31)11-15-8-9-19(20(12-15)29-2)30-14-17-7-5-4-6-16(17)13-24/h3-9,11-12H,1,10,14H2,2H3,(H,25,27,31)/b18-11-InChIKey
COEHMCVMRWQZRN-WQRHYEAKSA-NSynonyms
2((4((Z)(46DIOXO1(PROP2EN1YL)2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
2((4((Z)(46dioxo1prop2enyl2sulfanylidene13diazinan5ylidene)methyl)2methoxyphenoxy)methyl)benzonitrile
C=CCN1C(=S)NC(=O)C(=Cc2ccc(c(c2)OC)OCc2ccccc2C#N)C1=O
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)OCC3=CC=CC=C3C#N
InChI=1SC23H19N3O4Sc13102622(28)18(21(27)2523(26)31)11158919(20(1215)292)301417754616(17)1324h391112H11014H22H3(H252731)b1811
MFCD05041428
ZINC000016214886
ZINC16214886
Check stock
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