Vitas-M small molecule compound

2-[(4-ethoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Catalog ID
STK661469
SMILES CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)O

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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 C18H19NO5S MW 361.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO5S/c1-2-24-15-7-9-16(10-8-15)25(22,23)19-12-14-6-4-3-5-13(14)11-17(19)18(20)21/h3-10,17H,2,11-12H2,1H3,(H,20,21)
InChIKey
RXVNXBWESPXHFR-UHFFFAOYSA-N
Synonyms
1008091-79-9
1008091799
2((4ethoxyphenyl)sulfonyl)1234tetrahydroisoquinoline3carboxylicacid
2(4ETHOXYPHENYL)SULFONYL34DIHYDRO1HISOQUINOLINE3CARBOXYLICACID
CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)O
InChI=1SC18H19NO5Sc1224157916(10815)25(2223)191214643513(14)1117(19)18(20)21h31017H21112H21H3(H2021)
MFCD04971540
ZINC000000938050
ZINC000000938052

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Available files

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