Vitas-M small molecule compound
(4-{(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,6-dichlorophenoxy)acetic acid
Catalog ID
STK192712
SMILES OC(=O)COc1c(Cl)cc(cc1Cl)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)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 C19H11BrCl2N2O5S MW 530.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H11BrCl2N2O5S/c20-10-1-3-11(4-2-10)24-18(28)12(17(27)23-19(24)30)5-9-6-13(21)16(14(22)7-9)29-8-15(25)26/h1-7H,8H2,(H,25,26)(H,23,27,30)/b12-5-InChIKey
SULOUBWFZVRCDS-XGICHPGQSA-NSynonyms
(4((Z)(1(4BROMOPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)26DICHLOROPHENOXY)ACETICACID
2(4((Z)(1(4bromophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)26dichlorophenoxy)aceticacid
C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC(=O)O)Cl)C(=O)NC2=S)Br
InChI=1SC19H11BrCl2N2O5Sc20101311(4210)2418(28)12(17(27)2319(24)30)59613(21)16(14(22)79)29815(25)26h17H8H2(H2526)(H232730)b125
MFCD04539600
OC(=O)COc1c(Cl)cc(cc1Cl)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)Br
ZINC000097960900
ZINC97960900
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