Vitas-M small molecule compound

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

Catalog ID
STK198956
SMILES COc1ccc(c(c1)OC)N1C(=S)NC(=O)/C(=C\c2cccn2c2cccc(c2)C)/C1=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 C24H21N3O4S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4S/c1-15-6-4-7-16(12-15)26-11-5-8-17(26)13-19-22(28)25-24(32)27(23(19)29)20-10-9-18(30-2)14-21(20)31-3/h4-14H,1-3H3,(H,25,28,32)/b19-13+
InChIKey
NVFLNMWZDROVTE-CPNJWEJPSA-N
Synonyms

(5E)1(24DIMETHOXYPHENYL)5((1(3METHYLPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(24DIMETHOXYPHENYL)5((1(3METHYLPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=CC=C1)N2C=CC=C2C=C3C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)OC)OC
COc1ccc(c(c1)OC)N1C(=S)NC(=O)C(=Cc2cccn2c2cccc(c2)C)C1=O
InChI=1SC24H21N3O4Sc11564716(1215)26115817(26)131922(28)2524(32)27(23(19)29)2010918(302)1421(20)313h414H13H3(H252832)b1913+
MFCD03993858
ZINC000001127264
ZINC01127264
ZINC1127264

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Available files

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