Vitas-M small molecule compound

(3S)-N-(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STK598045
SMILES O=C(Nc1ccc(cc1)C(C)C)CNC(=O)[C@H]1NCc2c(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 C21H25N3O2 MW 351.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2/c1-14(2)15-7-9-18(10-8-15)24-20(25)13-23-21(26)19-11-16-5-3-4-6-17(16)12-22-19/h3-10,14,19,22H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKey
CMSVEAYZSDOXQV-IBGZPJMESA-N
Synonyms

(3S)N(2oxo2((4(propan2yl)phenyl)amino)ethyl)1234tetrahydroisoquinoline3carboxamide
(3S)N(2oxo2(4propan2ylanilino)ethyl)1234tetrahydroisoquinoline3carboxamide
(S)N(2((4isopropylphenyl)amino)2oxoethyl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CC(C)C1=CC=C(C=C1)NC(=O)CNC(=O)C2CC3=CC=CC=C3CN2
InChI=1SC21H25N3O2c114(2)157918(10815)2420(25)132321(26)191116534617(16)122219h310141922H1113H212H3(H2326)(H2425)t19m0s1
MFCD06782781
O=C(Nc1ccc(cc1)C(C)C)CNC(=O)(C@H)1NCc2c(C1)cccc2
O=C(Nc1ccc(cc1)C(C)C)CNC(=O)(C@H)1NCc2c(C1)cccc2Cl
ZINC000035380439
ZINC35380439

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Available files

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