Vitas-M small molecule compound
2-chloro-5-{3-[(Z)-(1-cyclohexyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK115061
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)C1CCCCC1
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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 C24H24ClN3O5 MW 469.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24ClN3O5/c1-13-10-15(14(2)27(13)17-8-9-20(25)18(12-17)23(31)32)11-19-21(29)26-24(33)28(22(19)30)16-6-4-3-5-7-16/h8-12,16H,3-7H2,1-2H3,(H,31,32)(H,26,29,33)/b19-11-InChIKey
FANNBRWALAGFOX-ODLFYWEKSA-NSynonyms
2CHLORO5(3((Z)(1CYCLOHEXYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
2CHLORO5(3((Z)(1CYCLOHEXYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4
InChI=1SC24H24ClN3O5c1131015(14(2)27(13)178920(25)18(1217)23(31)32)111921(29)2624(33)28(22(19)30)166435716h81216H37H212H3(H3132)(H262933)b1911
MFCD04127971
O=C1NC(=O)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)C1CCCCC1
ZINC000012628808
ZINC12628808
Check stock
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Check stock on Vitas-MAvailable files
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