Vitas-M small molecule compound

(5Z)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one

Catalog ID
STK567436
SMILES SC1=NC(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)/C(=N1)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 C20H16ClN3O2S MW 397.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O2S/c21-16-4-2-1-3-14(16)11-24-8-7-13-9-12(5-6-17(13)24)10-15-18(25)22-20(27)23-19(15)26/h1-6,9-10H,7-8,11H2,(H2,22,23,25,26,27)
InChIKey
PNVVBTXCBFYHNN-UHFFFAOYSA-N
Synonyms
573947-32-7
(5Z)5((1(2chlorobenzyl)23dihydro1Hindol5yl)methylidene)6hydroxy2sulfanylpyrimidin4(5H)one
5((1((2CHLOROPHENYL)METHYL)23DIHYDROINDOL5YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5((1(2CHLOROBENZYL)INDOLIN5YL)METHYLENE)2THIOXOHEXAHYDROPYRIMIDINE46QUINONE
573947327
C1CN(C2=C1C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)CC4=CC=CC=C4Cl
InChI=1SC20H16ClN3O2Sc2116421314(16)11248713912(5617(13)24)101518(25)2220(27)2319(15)26h16910H7811H2(H22223252627)
MFCD05729115
SC1=NC(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=N1)O
ZINC000017208849
ZINC17208849

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Available files

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