Vitas-M small molecule compound

4-methoxybenzyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK035551
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccsc1)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 C25H27NO4S MW 437.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO4S/c1-15-21(24(28)30-13-16-5-7-18(29-4)8-6-16)22(17-9-10-31-14-17)23-19(26-15)11-25(2,3)12-20(23)27/h5-10,14,22,26H,11-13H2,1-4H3
InChIKey
PVQUMWOXIGBNQT-UHFFFAOYSA-N
Synonyms

(4methoxyphenyl)methyl277trimethyl5oxo4thiophen3yl1468tetrahydroquinoline3carboxylate
4methoxybenzyl277trimethyl5oxo4(thiophen3yl)145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OCC4=CC=C(C=C4)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)(C)C
InChI=1SC25H27NO4Sc11521(24(28)3013165718(294)8616)22(17910311417)2319(2615)1125(23)1220(23)27h510142226H1113H214H3
MFCD02105255
STK035551
ZINC000000781161
ZINC000000781162

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.