Vitas-M small molecule compound

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

Catalog ID
STK040180
SMILES Oc1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1C

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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 C22H17N3O3S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O3S/c1-14-5-2-3-7-19(14)25-21(28)18(20(27)23-22(25)29)13-16-6-4-12-24(16)15-8-10-17(26)11-9-15/h2-13,26H,1H3,(H,23,27,29)/b18-13+
InChIKey
LSQBOUDNELFZOU-QGOAFFKASA-N
Synonyms

(5E)5((1(4HYDROXYPHENYL)1HPYRROL2YL)METHYLIDENE)1(2METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(4HYDROXYPHENYL)PYRROL2YL)METHYLIDENE)1(2METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC=CC=C1N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)O)C(=O)NC2=S
InChI=1SC22H17N3O3Sc114523719(14)2521(28)18(20(27)2322(25)29)1316641224(16)1581017(26)11915h21326H1H3(H232729)b1813+
MFCD08050649
Oc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1ccccc1C
STK040180
ZINC000004608395
ZINC04608395
ZINC4608395

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Available files

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