Vitas-M small molecule compound
2-phenylethyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK041568
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1Cl)C(=O)CC(C2)(C)C)OCCc1ccccc1
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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 C27H28ClNO3 MW 449.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO3/c1-17-23(26(31)32-14-13-18-9-5-4-6-10-18)24(19-11-7-8-12-20(19)28)25-21(29-17)15-27(2,3)16-22(25)30/h4-12,24,29H,13-16H2,1-3H3InChIKey
JXDCVZKEBIJJLD-UHFFFAOYSA-NSynonyms
2phenylethyl4(2chlorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(2chlorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3Cl)C(=O)OCCC4=CC=CC=C4
InChI=1SC27H28ClNO3c11723(26(31)3214131895461018)24(1911781220(19)28)2521(2917)1527(23)1622(25)30h4122429H1316H213H3
MFCD01193832
O=C(C1=C(C)NC2=C(C1c1ccccc1Cl)C(=O)CC(C2)(C)C)OCCc1ccccc1
STK041568
ZINC000019848678
ZINC000019848680
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