Vitas-M small molecule compound
2-{[4-(azepan-1-ylcarbonyl)phenyl]carbamoyl}benzoic acid
Catalog ID
STL069318
SMILES O=C(c1ccc(cc1)NC(=O)c1ccccc1C(=O)O)N1CCCCCC1
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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 C21H22N2O4 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4/c24-19(17-7-3-4-8-18(17)21(26)27)22-16-11-9-15(10-12-16)20(25)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24)(H,26,27)InChIKey
VDVYIGJNLDMODJ-UHFFFAOYSA-NSynonyms
940521-48-22(((4(1AZEPANYLCARBONYL)PHENYL)AMINO)CARBONYL)BENZOICACID
2((4(1AZEPANYLCARBONYL)ANILINO)CARBONYL)BENZOICACID
2((4(azepan1ylcarbonyl)phenyl)carbamoyl)benzoicacid
2((4(AZEPANE1CARBONYL)PHENYL)CARBAMOYL)BENZOICACID
2(N(4(AZAPERHYDROEPINYLCARBONYL)PHENYL)CARBAMOYL)BENZOICACID
940521482
C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O
InChI=1SC21H22N2O4c2419(17734818(17)21(26)27)221611915(101216)20(25)231351261423h34712H12561314H2(H2224)(H2627)
MFCD09439309
ZINC000012138543
ZINC12138543
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