Vitas-M small molecule compound
2-phenylethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK026517
SMILES CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)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 C29H32ClNO5 MW 510.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO5/c1-5-35-23-14-19(13-20(30)27(23)33)25-24(28(34)36-12-11-18-9-7-6-8-10-18)17(2)31-21-15-29(3,4)16-22(32)26(21)25/h6-10,13-14,25,31,33H,5,11-12,15-16H2,1-4H3InChIKey
APYFMZFICPNNQH-UHFFFAOYSA-NSynonyms
2phenylethyl4(3chloro5ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(3chloro5ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCC4=CC=CC=C4)C)Cl)O
CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1
InChI=1SC29H32ClNO5c1535231419(1320(30)27(23)33)2524(28(34)3612111897681018)17(2)31211529(34)1622(32)26(21)25h6101314253133H511121516H214H3
MFCD02188063
STK026517
ZINC000009113283
ZINC000009113358
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