Vitas-M small molecule compound
(5E)-5-(2-bromo-4,5-dimethoxybenzylidene)-1-(3-chloro-2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189488
SMILES COc1cc(Br)c(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1C)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/c1-10-14(22)5-4-6-15(10)24-19(26)12(18(25)23-20(24)29)7-11-8-16(27-2)17(28-3)9-13(11)21/h4-9H,1-3H3,(H,23,25,29)/b12-7+InChIKey
VQUDAFUTKPPXFG-KPKJPENVSA-NSynonyms
(5E)5((2BROMO45DIMETHOXYPHENYL)METHYLIDENE)1(3CHLORO2METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(2BROMO45DIMETHOXYBENZYLIDENE)1(3CHLORO2METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CC(=C(C=C3Br)OC)OC)C(=O)NC2=S
COc1cc(Br)c(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl
InChI=1SC20H16BrClN2O4Sc11014(22)54615(10)2419(26)12(18(25)2320(24)29)711816(272)17(283)913(11)21h49H13H3(H232529)b127+
MFCD03994609
ZINC000001134752
ZINC01134752
ZINC1134752
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