Vitas-M small molecule compound

(5Z)-1-[4-(butan-2-yl)phenyl]-5-{[5-(phenylsulfanyl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK712571
SMILES CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(o2)Sc2ccccc2)/C1=O)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 C25H22N2O4S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O4S/c1-3-16(2)17-9-11-18(12-10-17)27-24(29)21(23(28)26-25(27)30)15-19-13-14-22(31-19)32-20-7-5-4-6-8-20/h4-16H,3H2,1-2H3,(H,26,28,30)/b21-15-
InChIKey
ZYVRDKJBLGFTOX-QNGOZBTKSA-N
Synonyms
799784-95-5
(5Z)1(4(butan2yl)phenyl)5((5(phenylsulfanyl)furan2yl)methylidene)pyrimidine246(1H3H5H)trione
(5Z)1(4BUTAN2YLPHENYL)5((5PHENYLSULFANYLFURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(Z)1(4(secbutyl)phenyl)5((5(phenylthio)furan2yl)methylene)pyrimidine246(1H3H5H)trione
799784955
CCC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)SC4=CC=CC=C4)C(=O)NC2=O
CCC(c1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(o2)Sc2ccccc2)C1=O)C
InChI=1SC25H22N2O4Sc1316(2)1791118(121017)2724(29)21(23(28)2625(27)30)1519131422(3119)32207546820h416H3H212H3(H262830)b2115
MFCD03675145
ZINC000009168375
ZINC000017045113

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Available files

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