Vitas-M small molecule compound
pentyl 4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK000412
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CC(C2)(C)C
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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 C24H31NO4 MW 397.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO4/c1-5-6-7-11-29-23(28)20-15(2)25-18-13-24(3,4)14-19(27)22(18)21(20)16-9-8-10-17(26)12-16/h8-10,12,21,25-26H,5-7,11,13-14H2,1-4H3InChIKey
TWCNNKMVJGPHSN-UHFFFAOYSA-NSynonyms
299945-90-7299945907
CCCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CC(C2)(C)C
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)O)C(=O)CC(C2)(C)C)C
InChI=1SC24H31NO4c1567112923(28)2015(2)25181324(34)1419(27)22(18)21(20)16981017(26)1216h81012212526H57111314H214H3
MFCD00717910
pentyl4(3hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(3hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK000412
ZINC000017723883
ZINC000096316579
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