Vitas-M small molecule compound
(5E)-5-({[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino}methylidene)-1-(3-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL359408
SMILES COc1ccc(cc1)c1nnc(s1)N/C=C/1\C(=O)NC(=O)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 C21H17N5O4S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4S/c1-12-4-3-5-14(10-12)26-19(28)16(17(27)23-21(26)29)11-22-20-25-24-18(31-20)13-6-8-15(30-2)9-7-13/h3-11H,1-2H3,(H,22,25)(H,23,27,29)/b16-11+InChIKey
SOAFPPHTSNAKBH-LFIBNONCSA-NSynonyms
(5E)5(((5(4methoxyphenyl)134thiadiazol2yl)amino)methylidene)1(3methylphenyl)13diazinane246trione
(5E)5(((5(4methoxyphenyl)134thiadiazol2yl)amino)methylidene)1(3methylphenyl)pyrimidine246(1H3H5H)trione
COc1ccc(cc1)c1nnc(s1)NC=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C
InChI=1SC21H17N5O4Sc11243514(1012)2619(28)16(17(27)2321(26)29)112220252418(3120)136815(302)9713h311H12H3(H2225)(H232729)b1611+
MFCD28033685
ZINC000100342080
ZINC100342080
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