Vitas-M small molecule compound

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

Catalog ID
STK190190
SMILES Cc1cc(C)cc(c1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccccn2)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 C24H22N4O2S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O2S/c1-14-9-15(2)11-19(10-14)28-23(30)20(22(29)26-24(28)31)13-18-12-16(3)27(17(18)4)21-7-5-6-8-25-21/h5-13H,1-4H3,(H,26,29,31)/b20-13+
InChIKey
LBDZWEMCIMQNCI-DEDYPNTBSA-N
Synonyms

(5E)1(35DIMETHYLPHENYL)5((25DIMETHYL1(PYRIDIN2YL)1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(35DIMETHYLPHENYL)5((25DIMETHYL1PYRIDIN2YLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC=N4)C)C(=O)NC2=S)C
Cc1cc(C)cc(c1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccccn2)C)C1=O
InChI=1SC24H22N4O2Sc114915(2)1119(1014)2823(30)20(22(29)2624(28)31)13181216(3)27(17(18)4)2175682521h513H14H3(H262931)b2013+
MFCD03711003
ZINC000009908221
ZINC09908221
ZINC9908221

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Available files

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