Vitas-M small molecule compound
(5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL416452
SMILES Cc1cc(C)cc(c1)N1C(=S)NC(=O)/C(=C\c2cccn2C(C)(C)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 C21H23N3O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S/c1-13-9-14(2)11-16(10-13)24-19(26)17(18(25)22-20(24)27)12-15-7-6-8-23(15)21(3,4)5/h6-12H,1-5H3,(H,22,25,27)/b17-12+InChIKey
JKQBOFBDHYDVKE-SFQUDFHCSA-NSynonyms
(5E)5((1tertbutyl1Hpyrrol2yl)methylidene)1(35dimethylphenyl)2thioxodihydropyrimidine46(1H5H)dione
(5E)5((1TERTBUTYLPYRROL2YL)METHYLIDENE)1(35DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=CN3C(C)(C)C)C(=O)NC2=S)C
Cc1cc(C)cc(c1)N1C(=S)NC(=O)C(=Cc2cccn2C(C)(C)C)C1=O
InChI=1SC21H23N3O2Sc113914(2)1116(1013)2419(26)17(18(25)2220(24)27)121576823(15)21(34)5h612H15H3(H222527)b1712+
MFCD03700139
ZINC000001133480
ZINC01133480
ZINC1133480
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