Vitas-M small molecule compound

benzyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK372356
SMILES CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1

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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 C30H35NO5 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO5/c1-6-14-35-24-13-12-21(15-25(24)34-5)27-26(29(33)36-18-20-10-8-7-9-11-20)19(2)31-22-16-30(3,4)17-23(32)28(22)27/h7-13,15,27,31H,6,14,16-18H2,1-5H3
InChIKey
AVSRLLBHJAPKNM-UHFFFAOYSA-N
Synonyms

benzyl4(3methoxy4propoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(3methoxy4propoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C)OC
InChI=1SC30H35NO5c16143524131221(1525(24)345)2726(29(33)361820108791120)19(2)31221630(34)1723(32)28(22)27h713152731H6141618H215H3
MFCD00717828
ZINC000004062029
ZINC000004062033

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Available files

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