Vitas-M small molecule compound
4-({2-bromo-6-ethoxy-4-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK188031
SMILES CCOc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)C)cc(c1OCc1ccc(cc1)C(=O)O)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 C22H19BrN2O6S MW 519.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O6S/c1-3-30-17-10-13(8-15-19(26)24-22(32)25(2)20(15)27)9-16(23)18(17)31-11-12-4-6-14(7-5-12)21(28)29/h4-10H,3,11H2,1-2H3,(H,28,29)(H,24,26,32)/b15-8+InChIKey
CUVKNBMYIMBFQC-OVCLIPMQSA-NSynonyms
4((2bromo6ethoxy4((E)(1methyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)phenoxy)methyl)benzoicacid
4((2BROMO6ETHOXY4((E)(1METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C)Br)OCC3=CC=C(C=C3)C(=O)O
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)C)cc(c1OCc1ccc(cc1)C(=O)O)Br
InChI=1SC22H19BrN2O6Sc1330171013(81519(26)2422(32)25(2)20(15)27)916(23)18(17)3111124614(7512)21(28)29h410H311H212H3(H2829)(H242632)b158+
MFCD04480358
ZINC000097960907
ZINC97960907
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