Vitas-M small molecule compound

(5E)-1-(3-chloro-2-methylphenyl)-5-(4-hydroxy-3-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK071731
SMILES COc1cc(ccc1O)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl

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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 C19H15ClN2O4S MW 402.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN2O4S/c1-10-13(20)4-3-5-14(10)22-18(25)12(17(24)21-19(22)27)8-11-6-7-15(23)16(9-11)26-2/h3-9,23H,1-2H3,(H,21,24,27)/b12-8+
InChIKey
ZPZWFUZBURBOIC-XYOKQWHBSA-N
Synonyms

(5E)1(3CHLORO2METHYLPHENYL)5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(3CHLORO2METHYLPHENYL)5(4HYDROXY3METHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CC(=C(C=C3)O)OC)C(=O)NC2=S
COc1cc(ccc1O)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl
InChI=1SC19H15ClN2O4Sc11013(20)43514(10)2218(25)12(17(24)2119(22)27)8116715(23)16(911)262h3923H12H3(H212427)b128+
MFCD04126532
STK071731
ZINC000004599687
ZINC04599687
ZINC4599687

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Available files

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