Vitas-M small molecule compound
(5E)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188245
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)C2CCCCC2)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 C20H25N3O2S MW 371.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O2S/c1-4-10-22-19(25)17(18(24)21-20(22)26)12-15-11-13(2)23(14(15)3)16-8-6-5-7-9-16/h4,11-12,16H,1,5-10H2,2-3H3,(H,21,24,26)/b17-12+InChIKey
ODOAUFMPPOQTKB-SFQUDFHCSA-NSynonyms
(5E)5((1CYCLOHEXYL25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1CYCLOHEXYL25DIMETHYLPYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)C2CCCCC2)C)C1=O
CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC20H25N3O2Sc14102219(25)17(18(24)2120(22)26)12151113(2)23(14(15)3)168657916h4111216H1510H223H3(H212426)b1712+
MFCD03137127
ZINC000015837290
ZINC15837290
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