Vitas-M small molecule compound
(5E)-1-(3-bromophenyl)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192755
SMILES COc1ccc(cc1)n1cccc1/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 C22H16BrN3O3S MW 482.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN3O3S/c1-29-18-9-7-15(8-10-18)25-11-3-6-16(25)13-19-20(27)24-22(30)26(21(19)28)17-5-2-4-14(23)12-17/h2-13H,1H3,(H,24,27,30)/b19-13+InChIKey
JAEHIOKHCKMQGG-CPNJWEJPSA-NSynonyms
426221-34-3(5E)1(3BROMOPHENYL)5((1(4METHOXYPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(3BROMOPHENYL)5((1(4METHOXYPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
426221343
COC1=CC=C(C=C1)N2C=CC=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Br
COc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)Br
InChI=1SC22H16BrN3O3Sc129189715(81018)25113616(25)131920(27)2422(30)26(21(19)28)1752414(23)1217h213H1H3(H242730)b1913+
MFCD02604869
ZINC000001171189
ZINC01171189
ZINC1171189
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