Vitas-M small molecule compound
(5Z)-1-(3-bromophenyl)-5-{[2,5-dimethyl-1-(5-methylpyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192831
SMILES Cc1ccc(nc1)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=S)N(C1=O)c1cccc(c1)Br
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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 C23H19BrN4O2S MW 495.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN4O2S/c1-13-7-8-20(25-12-13)27-14(2)9-16(15(27)3)10-19-21(29)26-23(31)28(22(19)30)18-6-4-5-17(24)11-18/h4-12H,1-3H3,(H,26,29,31)/b19-10-InChIKey
JNARCVDXDMNKBQ-GRSHGNNSSA-NSynonyms
(5Z)1(3BROMOPHENYL)5((25DIMETHYL1(5METHYLPYRIDIN2YL)1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(3BROMOPHENYL)5((25DIMETHYL1(5METHYLPYRIDIN2YL)PYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CN=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Br)C
Cc1ccc(nc1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)Br
InChI=1SC23H19BrN4O2Sc1137820(251213)2714(2)916(15(27)3)101921(29)2623(31)28(22(19)30)1864517(24)1118h412H13H3(H262931)b1910
MFCD03719665
ZINC000009259419
ZINC09259419
ZINC9259419
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