Vitas-M small molecule compound
(5Z)-1-(4-ethoxyphenyl)-5-[4-(pyrrolidin-1-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK113261
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(cc2)N2CCCC2)/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 C23H23N3O3S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O3S/c1-2-29-19-11-9-18(10-12-19)26-22(28)20(21(27)24-23(26)30)15-16-5-7-17(8-6-16)25-13-3-4-14-25/h5-12,15H,2-4,13-14H2,1H3,(H,24,27,30)/b20-15-InChIKey
MPYBJIRAOVTSPB-HKWRFOASSA-NSynonyms
(5Z)1(4ETHOXYPHENYL)5((4PYRROLIDIN1YLPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(4ETHOXYPHENYL)5(4(PYRROLIDIN1YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)N4CCCC4)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(cc2)N2CCCC2)C1=O
InChI=1SC23H23N3O3Sc12291911918(101219)2622(28)20(21(27)2423(26)30)15165717(8616)2513341425h51215H241314H21H3(H242730)b2015
MFCD03238600
ZINC000004675552
ZINC04675552
ZINC4675552
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