Vitas-M small molecule compound

(5E)-1-(3-chloro-2-methylphenyl)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK109019
SMILES Oc1ccc(cc1)n1cccc1/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 C22H16ClN3O3S MW 437.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O3S/c1-13-18(23)5-2-6-19(13)26-21(29)17(20(28)24-22(26)30)12-15-4-3-11-25(15)14-7-9-16(27)10-8-14/h2-12,27H,1H3,(H,24,28,30)/b17-12+
InChIKey
DHUBXWWPKWETJD-SFQUDFHCSA-N
Synonyms

(5E)1(3CHLORO2METHYLPHENYL)5((1(4HYDROXYPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(3CHLORO2METHYLPHENYL)5((1(4HYDROXYPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
1(3CHLORO2METHYLPHENYL)5((1(4HYDROXYPHENYL)1HPYRROL2YL)METHYLENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)O)C(=O)NC2=S
InChI=1SC22H16ClN3O3Sc11318(23)52619(13)2621(29)17(20(28)2422(26)30)1215431125(15)147916(27)10814h21227H1H3(H242830)b1712+
MFCD03864253
Oc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl
ZINC000008451797
ZINC08451797
ZINC8451797

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Available files

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