Vitas-M small molecule compound

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

Catalog ID
STK199760
SMILES Clc1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)C

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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 C22H16ClN3O2S MW 421.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O2S/c1-14-4-2-5-18(12-14)26-21(28)19(20(27)24-22(26)29)13-17-6-3-11-25(17)16-9-7-15(23)8-10-16/h2-13H,1H3,(H,24,27,29)/b19-13+
InChIKey
IUVWHVRJGQOOAW-CPNJWEJPSA-N
Synonyms

(5E)5((1(4CHLOROPHENYL)1HPYRROL2YL)METHYLIDENE)1(3METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(4CHLOROPHENYL)PYRROL2YL)METHYLIDENE)1(3METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
5((1(4CHLOROPHENYL)1HPYRROL2YL)METHYLENE)1(3METHYLPHENYL)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)Cl)C(=O)NC2=S
Clc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)C
InChI=1SC22H16ClN3O2Sc11442518(1214)2621(28)19(20(27)2422(26)29)1317631125(17)169715(23)81016h213H1H3(H242729)b1913+
MFCD02640049
ZINC000002156382
ZINC02156382
ZINC2156382

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Available files

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