Vitas-M small molecule compound
4,4'-[{5-[(2,2-dimethylpropanoyl)amino]benzene-1,3-diyl}bis(carbonylimino)]dibenzoic acid
Catalog ID
STK088079
SMILES O=C(C(C)(C)C)Nc1cc(cc(c1)C(=O)Nc1ccc(cc1)C(=O)O)C(=O)Nc1ccc(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 C27H25N3O7 MW 503.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O7/c1-27(2,3)26(37)30-21-13-17(22(31)28-19-8-4-15(5-9-19)24(33)34)12-18(14-21)23(32)29-20-10-6-16(7-11-20)25(35)36/h4-14H,1-3H3,(H,28,31)(H,29,32)(H,30,37)(H,33,34)(H,35,36)InChIKey
RFVBGKMTHNWSBK-UHFFFAOYSA-NSynonyms
4((3((4CARBOXYPHENYL)CARBAMOYL)5(22DIMETHYLPROPANOYLAMINO)BENZOYL)AMINO)BENZOICACID
44((5((22DIMETHYLPROPANOYL)AMINO)BENZENE13DIYL)BIS(CARBONYLIMINO))DIBENZOICACID
CC(C)(C)C(=O)NC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=O)O
InChI=1SC27H25N3O7c127(23)26(37)30211317(22(31)28198415(5919)24(33)34)1218(1421)23(32)292010616(71120)25(35)36h414H13H3(H2831)(H2932)(H3037)(H3334)(H3536)
MFCD00307833
O=C(C(C)(C)C)Nc1cc(cc(c1)C(=O)Nc1ccc(cc1)C(=O)O)C(=O)Nc1ccc(cc1)C(=O)O
STK088079
ZINC000002176639
ZINC2176639
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