Vitas-M small molecule compound
prop-2-en-1-yl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK027204
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccccc1)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 C30H33NO5 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO5/c1-6-14-35-29(33)26-19(2)31-22-16-30(3,4)17-23(32)28(22)27(26)21-12-13-24(25(15-21)34-5)36-18-20-10-8-7-9-11-20/h6-13,15,27,31H,1,14,16-18H2,2-5H3InChIKey
SPYULRYHFYKXJW-UHFFFAOYSA-NSynonyms
C=CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C(=O)CC(C2)(C)C
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCC=C
InChI=1SC30H33NO5c16143529(33)2619(2)31221630(34)1723(32)28(22)27(26)21121324(25(1521)345)361820108791120h613152731H1141618H225H3
MFCD00717953
prop2en1yl4(4(benzyloxy)3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(3methoxy4phenylmethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK027204
ZINC000002069400
ZINC000002069401
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