Vitas-M small molecule compound

4-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid

Catalog ID
STL229434
SMILES OC(=O)C1CC(=Nc2c(S1)cccc2)c1ccc2c(c1)CCCC2

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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 C20H19NO2S MW 337.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO2S/c22-20(23)19-12-17(21-16-7-3-4-8-18(16)24-19)15-10-9-13-5-1-2-6-14(13)11-15/h3-4,7-11,19H,1-2,5-6,12H2,(H,22,23)
InChIKey
PAKGBKFTJUEOJX-UHFFFAOYSA-N
Synonyms

4(5678tetrahydronaphthalen2yl)23dihydro15benzothiazepine2carboxylicacid
C1CCC2=C(C1)C=CC(=C2)C3=NC4=CC=CC=C4SC(C3)C(=O)O
InChI=1SC20H19NO2Sc2220(23)191217(2116734818(16)2419)1510913512614(13)1115h3471119H125612H2(H2223)
MFCD06740800
ZINC000016776746
ZINC000016776749

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Available files

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