Vitas-M small molecule compound
4-{3-[(E)-(1-cyclohexyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK122128
SMILES OC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)N(C1=O)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 C24H25N3O5 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O5/c1-14-12-17(15(2)26(14)19-10-8-16(9-11-19)23(30)31)13-20-21(28)25-24(32)27(22(20)29)18-6-4-3-5-7-18/h8-13,18H,3-7H2,1-2H3,(H,30,31)(H,25,28,32)/b20-13+InChIKey
IYDHZHGKPIUUAG-DEDYPNTBSA-NSynonyms
4(3((E)(1CYCLOHEXYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
4(3((E)(1CYCLOHEXYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4
InChI=1SC24H25N3O5c1141217(15(2)26(14)1910816(91119)23(30)31)132021(28)2524(32)27(22(20)29)186435718h81318H37H212H3(H3031)(H252832)b2013+
MFCD03928584
OC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)C1CCCCC1
ZINC000009805755
ZINC9805755
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