Vitas-M small molecule compound
(5Z)-5-[(1-cyclopentyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK196884
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1cc(n(c1C)C1CCCC1)C)c1ccccc1C
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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 C23H25N3O2S MW 407.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O2S/c1-14-8-4-7-11-20(14)26-22(28)19(21(27)24-23(26)29)13-17-12-15(2)25(16(17)3)18-9-5-6-10-18/h4,7-8,11-13,18H,5-6,9-10H2,1-3H3,(H,24,27,29)/b19-13-InChIKey
ANMRKKPINAKGHJ-UYRXBGFRSA-NSynonyms
(5Z)5((1CYCLOPENTYL25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(2METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1CYCLOPENTYL25DIMETHYLPYRROL3YL)METHYLIDENE)1(2METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC=CC=C1N2C(=O)C(=CC3=C(N(C(=C3)C)C4CCCC4)C)C(=O)NC2=S
InChI=1SC23H25N3O2Sc1148471120(14)2622(28)19(21(27)2423(26)29)13171215(2)25(16(17)3)189561018h478111318H56910H213H3(H242729)b1913
MFCD03226496
O=C1NC(=S)N(C(=O)C1=Cc1cc(n(c1C)C1CCCC1)C)c1ccccc1C
ZINC000004738852
ZINC04738852
ZINC4738852
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