Vitas-M small molecule compound
(5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(2-ethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192200
SMILES CCc1ccccc1N1C(=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/c1-5-14-9-6-7-11-17(14)24-19(26)16(18(25)22-20(24)27)13-15-10-8-12-23(15)21(2,3)4/h6-13H,5H2,1-4H3,(H,22,25,27)/b16-13+InChIKey
FMLLHBOZGJQOGE-DTQAZKPQSA-NSynonyms
(5E)5((1TERTBUTYL1HPYRROL2YL)METHYLIDENE)1(2ETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1TERTBUTYLPYRROL2YL)METHYLIDENE)1(2ETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CCC1=CC=CC=C1N2C(=O)C(=CC3=CC=CN3C(C)(C)C)C(=O)NC2=S
CCc1ccccc1N1C(=S)NC(=O)C(=Cc2cccn2C(C)(C)C)C1=O
InChI=1SC21H23N3O2Sc15149671117(14)2419(26)16(18(25)2220(24)27)13151081223(15)21(23)4h613H5H214H3(H222527)b1613+
MFCD03992992
ZINC000030803247
ZINC30803247
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