Vitas-M small molecule compound

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

Catalog ID
STK070430
SMILES O=C(C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)(C)C)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 C25H27NO3S MW 421.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO3S/c1-16-21(24(28)29-11-9-17-7-5-4-6-8-17)22(18-10-12-30-15-18)23-19(26-16)13-25(2,3)14-20(23)27/h4-8,10,12,15,22,26H,9,11,13-14H2,1-3H3
InChIKey
WZKGHJFSWGBTKN-UHFFFAOYSA-N
Synonyms

2phenylethyl277trimethyl5oxo4(thiophen3yl)145678hexahydroquinoline3carboxylate
2phenylethyl277trimethyl5oxo4thiophen3yl1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OCCC4=CC=CC=C4
InChI=1SC25H27NO3Sc11621(24(28)29119177546817)22(181012301518)2319(2616)1325(23)1420(23)27h481012152226H9111314H213H3
MFCD02105341
O=C(C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)(C)C)OCCc1ccccc1
STK070430
ZINC000019972772
ZINC000019972773

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Available files

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