Vitas-M small molecule compound

tert-butyl (3S)-3-(cyclopentylcarbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK598215
SMILES O=C([C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)NC1CCCC1

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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 C20H28N2O3 MW 344.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O3/c1-20(2,3)25-19(24)22-13-15-9-5-4-8-14(15)12-17(22)18(23)21-16-10-6-7-11-16/h4-5,8-9,16-17H,6-7,10-13H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKey
OJTGLEFYEYPFOA-KRWDZBQOSA-N
Synonyms
1173682-81-9
(S)tertbutyl3(cyclopentylcarbamoyl)34dihydroisoquinoline2(1H)carboxylate
1173682819
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3CCCC3
InChI=1SC20H28N2O3c120(23)2519(24)221315954814(15)1217(22)18(23)211610671116h45891617H671013H213H3(H2123)t17m0s1
MFCD06775299
O=C((C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)NC1CCCC1
tertbutyl(3S)3(cyclopentylcarbamoyl)34dihydro1Hisoquinoline2carboxylate
tertbutyl(3S)3(cyclopentylcarbamoyl)34dihydroisoquinoline2(1H)carboxylate
ZINC000005246768
ZINC05246768
ZINC5246768

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Available files

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