Vitas-M small molecule compound
(5E)-1-(4-bromo-2-methylphenyl)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK193117
SMILES Brc1ccc(c(c1)C)N1C(=S)NC(=O)/C(=C\C=C\c2ccccc2)/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 C20H15BrN2O2S MW 427.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O2S/c1-13-12-15(21)10-11-17(13)23-19(25)16(18(24)22-20(23)26)9-5-8-14-6-3-2-4-7-14/h2-12H,1H3,(H,22,24,26)/b8-5+,16-9+InChIKey
JRPIQLOVRDAIOH-ZCPHBQKFSA-NSynonyms
(5E)1(4BROMO2METHYLPHENYL)5((2E)3PHENYLPROP2EN1YLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(4BROMO2METHYLPHENYL)5((E)3PHENYLPROP2ENYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
Brc1ccc(c(c1)C)N1C(=S)NC(=O)C(=CC=Cc2ccccc2)C1=O
CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC=CC3=CC=CC=C3)C(=O)NC2=S
InChI=1SC20H15BrN2O2Sc1131215(21)101117(13)2319(25)16(18(24)2220(23)26)958146324714h212H1H3(H222426)b85+169+
MFCD02213153
ZINC000009933395
ZINC09933395
ZINC9933395
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