Vitas-M small molecule compound
(5E)-5-{3-bromo-4-[(4-methylbenzyl)oxy]benzylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK039114
SMILES Cc1ccc(cc1)COc1ccc(cc1Br)/C=C/1\C(=O)NC(=S)N(C1=O)C
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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 C20H17BrN2O3S MW 445.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O3S/c1-12-3-5-13(6-4-12)11-26-17-8-7-14(10-16(17)21)9-15-18(24)22-20(27)23(2)19(15)25/h3-10H,11H2,1-2H3,(H,22,24,27)/b15-9+InChIKey
KIFVNAKTHZZTMB-OQLLNIDSSA-NSynonyms
(5E)5((3BROMO4((4METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1METHYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3BROMO4((4METHYLBENZYL)OXY)BENZYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C)Br
Cc1ccc(cc1)COc1ccc(cc1Br)C=C1C(=O)NC(=S)N(C1=O)C
InChI=1SC20H17BrN2O3Sc1123513(6412)1126178714(1016(17)21)91518(24)2220(27)23(2)19(15)25h310H11H212H3(H222427)b159+
MFCD03226774
STK039114
ZINC000009299727
ZINC09299727
ZINC9299727
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