Vitas-M small molecule compound

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

Catalog ID
STK197094
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cccn2c2ccc(cc2C)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 C24H21N3O3S MW 431.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O3S/c1-15-6-11-21(16(2)13-15)26-12-4-5-18(26)14-20-22(28)25-24(31)27(23(20)29)17-7-9-19(30-3)10-8-17/h4-14H,1-3H3,(H,25,28,31)/b20-14+
InChIKey
ISWUVZPVTXIHHQ-XSFVSMFZSA-N
Synonyms

(5E)5((1(24DIMETHYLPHENYL)1HPYRROL2YL)METHYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(24DIMETHYLPHENYL)PYRROL2YL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(C=C1)N2C=CC=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OC)C
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cccn2c2ccc(cc2C)C)C1=O
InChI=1SC24H21N3O3Sc11561121(16(2)1315)26124518(26)142022(28)2524(31)27(23(20)29)177919(303)10817h414H13H3(H252831)b2014+
MFCD03712191
ZINC000001163547
ZINC01163547
ZINC1163547

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Available files

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