Vitas-M small molecule compound
4-({[(Z)-[1-(2-ethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene](phenylamino)methyl]amino}methyl)cyclohexanecarboxylic acid
Catalog ID
STL441713
SMILES CCOc1ccccc1N1C(=O)NC(=O)/C(=C(/Nc2ccccc2)\NCC2CCC(CC2)C(=O)O)/C1=O
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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 C27H30N4O6 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O6/c1-2-37-21-11-7-6-10-20(21)31-25(33)22(24(32)30-27(31)36)23(29-19-8-4-3-5-9-19)28-16-17-12-14-18(15-13-17)26(34)35/h3-11,17-18,28-29H,2,12-16H2,1H3,(H,34,35)(H,30,32,36)/b23-22-InChIKey
SBTXPEDRFZLEOM-FCQUAONHSA-NSynonyms
4((((Z)(1(2ethoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)(phenylamino)methyl)amino)methyl)cyclohexanecarboxylicacid
4((((Z)anilino(1(2ethoxyphenyl)246trioxo13diazinan5ylidene)methyl)amino)methyl)cyclohexane1carboxylicacid
CCOC1=CC=CC=C1N2C(=O)C(=C(NCC3CCC(CC3)C(=O)O)NC4=CC=CC=C4)C(=O)NC2=O
CCOc1ccccc1N1C(=O)NC(=O)C(=C(Nc2ccccc2)NCC2CCC(CC2)C(=O)O)C1=O
InChI=1SC27H30N4O6c12372111761020(21)3125(33)22(24(32)3027(31)36)23(29198435919)281617121418(151317)26(34)35h31117182829H21216H21H3(H3435)(H303236)b2322
MFCD08060417
ZINC000008777861
ZINC8777861
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