Vitas-M small molecule compound
4-[(2,6-dibromo-4-{(Z)-[1-(4-tert-butylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK172540
SMILES OC(=O)c1ccc(cc1)COc1c(Br)cc(cc1Br)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(C)(C)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 C29H24Br2N2O6 MW 656.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24Br2N2O6/c1-29(2,3)19-8-10-20(11-9-19)33-26(35)21(25(34)32-28(33)38)12-17-13-22(30)24(23(31)14-17)39-15-16-4-6-18(7-5-16)27(36)37/h4-14H,15H2,1-3H3,(H,36,37)(H,32,34,38)/b21-12-InChIKey
KOPWLCNXSGUHTO-MTJSOVHGSA-NSynonyms
4((26DIBROMO4((Z)(1(4TERTBUTYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((26DIBROMO4((Z)(1(4TERTBUTYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CC(C)(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC4=CC=C(C=C4)C(=O)O)Br)C(=O)NC2=O
InChI=1SC29H24Br2N2O6c129(23)1981020(11919)3326(35)21(25(34)3228(33)38)12171322(30)24(23(31)1417)3915164618(7516)27(36)37h414H15H213H3(H3637)(H323438)b2112
MFCD02193561
OC(=O)c1ccc(cc1)COc1c(Br)cc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(C)(C)C
ZINC000097960584
ZINC97960584
Check stock
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Check stock on Vitas-MAvailable files
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