Vitas-M small molecule compound
methyl 2-{[(2E)-3-(4-tert-butylphenyl)-2-cyanoprop-2-enoyl]amino}benzoate
Catalog ID
STK391716
SMILES N#C/C(=C\c1ccc(cc1)C(C)(C)C)/C(=O)Nc1ccccc1C(=O)OC
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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 C22H22N2O3 MW 362.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O3/c1-22(2,3)17-11-9-15(10-12-17)13-16(14-23)20(25)24-19-8-6-5-7-18(19)21(26)27-4/h5-13H,1-4H3,(H,24,25)/b16-13+InChIKey
MJZCCKSGYPGUBN-DTQAZKPQSA-NSynonyms
CC(C)(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC
InChI=1SC22H22N2O3c122(23)1711915(101217)1316(1423)20(25)2419865718(19)21(26)274h513H14H3(H2425)b1613+
methyl2(((2E)3(4tertbutylphenyl)2cyanoprop2enoyl)amino)benzoate
METHYL2(((E)3(4TERTBUTYLPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOATE
METHYL2((2E)3(4(TERTBUTYL)PHENYL)2CYANOPROP2ENOYLAMINO)BENZOATE
MFCD02364396
N#CC(=Cc1ccc(cc1)C(C)(C)C)C(=O)Nc1ccccc1C(=O)OC
ZINC000002669940
ZINC02669940
ZINC2669940
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