Vitas-M small molecule compound
butan-2-yl 4-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK011920
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)CC)C(=O)CC(C2)c1ccc(cc1)OC)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 C30H35NO4 MW 473.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO4/c1-6-18(3)35-30(33)27-19(4)31-25-16-23(21-12-14-24(34-5)15-13-21)17-26(32)29(25)28(27)22-10-8-20(7-2)9-11-22/h8-15,18,23,28,31H,6-7,16-17H2,1-5H3InChIKey
VZWAGRHAVHUPEK-UHFFFAOYSA-NSynonyms
butan2yl4(4ethylphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(4ethylphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)CC)C(=O)CC(C2)c1ccc(cc1)OC)C
CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC(C)CC)C
InChI=1SC30H35NO4c1618(3)3530(33)2719(4)31251623(21121424(345)151321)1726(32)29(25)28(27)2210820(72)91122h81518232831H671617H215H3
MFCD01445757
STK011920
ZINC000001082025
ZINC000013634081
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