Vitas-M small molecule compound
4-[({(Z)-[(4-chlorophenyl)amino][1-(2,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)methyl]cyclohexanecarboxylic acid
Catalog ID
STL441738
SMILES Clc1ccc(cc1)N/C(=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1C)C)/NCC1CCC(CC1)C(=O)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 C27H29ClN4O5 MW 525.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN4O5/c1-15-3-12-21(16(2)13-15)32-25(34)22(24(33)31-27(32)37)23(30-20-10-8-19(28)9-11-20)29-14-17-4-6-18(7-5-17)26(35)36/h3,8-13,17-18,29-30H,4-7,14H2,1-2H3,(H,35,36)(H,31,33,37)/b23-22-InChIKey
SIPLFSZABGQLAO-FCQUAONHSA-NSynonyms
4((((Z)((4chlorophenyl)amino)(1(24dimethylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)methyl)cyclohexanecarboxylicacid
4((((Z)(4chloroanilino)(1(24dimethylphenyl)246trioxo13diazinan5ylidene)methyl)amino)methyl)cyclohexane1carboxylicacid
CC1=CC(=C(C=C1)N2C(=O)C(=C(NCC3CCC(CC3)C(=O)O)NC4=CC=C(C=C4)Cl)C(=O)NC2=O)C
Clc1ccc(cc1)NC(=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1C)C)NCC1CCC(CC1)C(=O)O
InChI=1SC27H29ClN4O5c11531221(16(2)1315)3225(34)22(24(33)3127(32)37)23(302010819(28)91120)2914174618(7517)26(35)36h381317182930H4714H212H3(H3536)(H313337)b2322
MFCD08060442
ZINC000103579313
ZINC103579313
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