Vitas-M small molecule compound
(5Z)-1-(3-bromophenyl)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192734
SMILES Clc1ccc(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 C21H13BrClN3O2S MW 486.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13BrClN3O2S/c22-13-3-1-4-17(11-13)26-20(28)18(19(27)24-21(26)29)12-16-5-2-10-25(16)15-8-6-14(23)7-9-15/h1-12H,(H,24,27,29)/b18-12-InChIKey
HNBWFUNMYNCGCR-PDGQHHTCSA-NSynonyms
(5Z)1(3BROMOPHENYL)5((1(4CHLOROPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(3BROMOPHENYL)5((1(4CHLOROPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
C1=CC(=CC(=C1)Br)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)Cl)C(=O)NC2=S
Clc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)Br
InChI=1SC21H13BrClN3O2Sc221331417(1113)2620(28)18(19(27)2421(26)29)1216521025(16)158614(23)7915h112H(H242729)b1812
MFCD05039364
ZINC000012363124
ZINC12363124
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