Vitas-M small molecule compound
propan-2-yl 4-(2-ethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406150
SMILES CCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(cc2)F)NC(=C1C(=O)OC(C)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 C28H30FNO4 MW 463.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FNO4/c1-5-33-24-9-7-6-8-21(24)26-25(28(32)34-16(2)3)17(4)30-22-14-19(15-23(31)27(22)26)18-10-12-20(29)13-11-18/h6-13,16,19,26,30H,5,14-15H2,1-4H3InChIKey
OTKKHMJWTKMUBZ-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC(=C2C(=O)OC(C)C)C
InChI=1SC28H30FNO4c153324976821(24)2625(28(32)3416(2)3)17(4)30221419(1523(31)27(22)26)18101220(29)131118h61316192630H51415H214H3
MFCD05986861
propan2yl4(2ethoxyphenyl)7(4fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(2ethoxyphenyl)7(4fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000016293974
ZINC000016293978
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