Vitas-M small molecule compound
4-{[(E)-(1-cycloheptyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid
Catalog ID
STL054329
SMILES O=C1N=C(O)/C(=C\Nc2ccc(cc2)C(=O)O)/C(=O)N1C1CCCCCC1
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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 C19H21N3O5 MW 371.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O5/c23-16-15(11-20-13-9-7-12(8-10-13)18(25)26)17(24)22(19(27)21-16)14-5-3-1-2-4-6-14/h7-11,14,20H,1-6H2,(H,25,26)(H,21,23,27)/b15-11+InChIKey
NVUGHCCCGOPLMN-RVDMUPIBSA-NSynonyms
4(((E)(1CYCLOHEPTYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOICACID
4(((E)(1cycloheptyl4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)amino)benzoicacid
C1CCCC(CC1)N2C(=O)C(=CNC3=CC=C(C=C3)C(=O)O)C(=O)NC2=O
InChI=1SC19H21N3O5c231615(1120139712(81013)18(25)26)17(24)22(19(27)2116)1453124614h7111420H16H2(H2526)(H212327)b1511+
MFCD05738465
O=C1N=C(O)C(=CNc2ccc(cc2)C(=O)O)C(=O)N1C1CCCCCC1
ZINC000002449786
ZINC2449786
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