Vitas-M small molecule compound
4-({2,6-dichloro-4-[(Z)-{2,4,6-trioxo-1-[4-(propan-2-yl)phenyl]tetrahydropyrimidin-5(2H)-ylidene}methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK170316
SMILES CC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)C(=O)O)/C1=O)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 C28H22Cl2N2O6 MW 553.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22Cl2N2O6/c1-15(2)18-7-9-20(10-8-18)32-26(34)21(25(33)31-28(32)37)11-17-12-22(29)24(23(30)13-17)38-14-16-3-5-19(6-4-16)27(35)36/h3-13,15H,14H2,1-2H3,(H,35,36)(H,31,33,37)/b21-11-InChIKey
QLVAWZUKHUHILS-NHDPSOOVSA-NSynonyms
4((26DICHLORO4((Z)(246TRIOXO1(4(PROPAN2YL)PHENYL)TETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((26dichloro4((Z)(246trioxo1(4propan2ylphenyl)13diazinan5ylidene)methyl)phenoxy)methyl)benzoicacid
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC4=CC=C(C=C4)C(=O)O)Cl)C(=O)NC2=O
CC(c1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)C(=O)O)C1=O)C
InChI=1SC28H22Cl2N2O6c115(2)187920(10818)3226(34)21(25(33)3128(32)37)11171222(29)24(23(30)1317)3814163519(6416)27(35)36h31315H14H212H3(H3536)(H313337)b2111
MFCD02194095
ZINC000097960525
ZINC97960525
Check stock
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Check stock on Vitas-MAvailable files
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