Vitas-M small molecule compound
butan-2-yl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363835
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)O)C(=O)CC(C2)c1ccccc1)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 C27H29NO4 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4/c1-4-16(2)32-27(31)24-17(3)28-22-14-20(18-8-6-5-7-9-18)15-23(30)26(22)25(24)19-10-12-21(29)13-11-19/h5-13,16,20,25,28-29H,4,14-15H2,1-3H3InChIKey
QHSIPLRFUZZWRP-UHFFFAOYSA-NSynonyms
butan2yl4(4hydroxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
butan2yl4(4hydroxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)O)C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC27H29NO4c1416(2)3227(31)2417(3)28221420(188657918)1523(30)26(22)25(24)19101221(29)131119h5131620252829H41415H213H3
MFCD01873712
ZINC000035982121
ZINC000138166337
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