Vitas-M small molecule compound

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

Catalog ID
STK121774
SMILES Oc1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(C)ccc1C

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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 C23H19N3O3S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O3S/c1-14-5-6-15(2)20(12-14)26-22(29)19(21(28)24-23(26)30)13-17-4-3-11-25(17)16-7-9-18(27)10-8-16/h3-13,27H,1-2H3,(H,24,28,30)/b19-13+
InChIKey
QRZJNWPEOSNYQI-CPNJWEJPSA-N
Synonyms

(5E)1(25DIMETHYLPHENYL)5((1(4HYDROXYPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(25DIMETHYLPHENYL)5((1(4HYDROXYPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(C=C1)C)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)O)C(=O)NC2=S
InChI=1SC23H19N3O3Sc1145615(2)20(1214)2622(29)19(21(28)2423(26)30)1317431125(17)167918(27)10816h31327H12H3(H242830)b1913+
MFCD07157267
Oc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1cc(C)ccc1C
ZINC000004676277
ZINC04676277
ZINC4676277

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Available files

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