Vitas-M small molecule compound
(5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-1-(4-chlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189383
SMILES CCOc1c(Br)cc(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)Cl
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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 C20H16BrClN2O4S MW 495.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrClN2O4S/c1-3-28-17-15(21)9-11(10-16(17)27-2)8-14-18(25)23-20(29)24(19(14)26)13-6-4-12(22)5-7-13/h4-10H,3H2,1-2H3,(H,23,25,29)/b14-8+InChIKey
PQHZWVQVQQGTCC-RIYZIHGNSA-NSynonyms
(5E)5((3BROMO4ETHOXY5METHOXYPHENYL)METHYLIDENE)1(4CHLOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3BROMO4ETHOXY5METHOXYBENZYLIDENE)1(4CHLOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C=C(C=C1Br)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)OC
CCOc1c(Br)cc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)Cl
InChI=1SC20H16BrClN2O4Sc13281715(21)911(1016(17)272)81418(25)2320(29)24(19(14)26)136412(22)5713h410H3H212H3(H232529)b148+
MFCD01470856
ZINC000001197388
ZINC01197388
ZINC1197388
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