Vitas-M small molecule compound
(5Z)-5-[(1,2-dimethyl-1H-indol-3-yl)methylidene]-1-(4-ethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187354
SMILES CCc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2c(C)n(c3c2cccc3)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 C23H21N3O2S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O2S/c1-4-15-9-11-16(12-10-15)26-22(28)19(21(27)24-23(26)29)13-18-14(2)25(3)20-8-6-5-7-17(18)20/h5-13H,4H2,1-3H3,(H,24,27,29)/b19-13-InChIKey
HDDJLFCJWNJUBC-UYRXBGFRSA-NSynonyms
(5Z)5((12DIMETHYL1HINDOL3YL)METHYLIDENE)1(4ETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((12DIMETHYLINDOL3YL)METHYLIDENE)1(4ETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C4=CC=CC=C43)C)C)C(=O)NC2=S
CCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2c(C)n(c3c2cccc3)C)C1=O
InChI=1SC23H21N3O2Sc141591116(121015)2622(28)19(21(27)2423(26)29)131814(2)25(3)20865717(18)20h513H4H213H3(H242729)b1913
MFCD02789750
ZINC000004711361
ZINC04711361
ZINC4711361
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