Vitas-M small molecule compound

Catalog ID
STK598140
SMILES CCC([C@@H](C(=O)NC1CCCC1)NC(=O)[C@H]1NCc2c(C1)cccc2)C

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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 C21H31N3O2 MW 357.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N3O2/c1-3-14(2)19(21(26)23-17-10-6-7-11-17)24-20(25)18-12-15-8-4-5-9-16(15)13-22-18/h4-5,8-9,14,17-19,22H,3,6-7,10-13H2,1-2H3,(H,23,26)(H,24,25)/t14?,18-,19-/m0/s1
InChIKey
QKDZKLODHGSJHY-SQJZIBIZSA-N
Synonyms

(3S)N((2S)1(cyclopentylamino)3methyl1oxopentan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((2S3R)1(cyclopentylamino)3methyl1oxopentan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CCC((C@@H)(C(=O)NC1CCCC1)NC(=O)(C@H)1NCc2c(C1)cccc2)C
CCC((C@@H)(C(=O)NC1CCCC1)NC(=O)(C@H)1NCc2c(C1)cccc2)CCl
CCC(C)C(C(=O)NC1CCCC1)NC(=O)C2CC3=CC=CC=C3CN2
InChI=1SC21H31N3O2c1314(2)19(21(26)231710671117)2420(25)181215845916(15)132218h458914171922H3671013H212H3(H2326)(H2425)t14?1819m0s1
MFCD06773582
ZINC000013555034
ZINC000035349300

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Available files

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