Vitas-M small molecule compound

(3S)-N-{(2S)-1-[(2,4-dimethylphenyl)amino]-4-methyl-1-oxopentan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STK572398
SMILES CC(C[C@@H](C(=O)Nc1ccc(cc1C)C)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 C24H31N3O2 MW 393.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N3O2/c1-15(2)11-22(24(29)26-20-10-9-16(3)12-17(20)4)27-23(28)21-13-18-7-5-6-8-19(18)14-25-21/h5-10,12,15,21-22,25H,11,13-14H2,1-4H3,(H,26,29)(H,27,28)/t21-,22-/m0/s1
InChIKey
AKSWKQMWUKMJRX-VXKWHMMOSA-N
Synonyms

(3S)N((2S)1((24dimethylphenyl)amino)4methyl1oxopentan2yl)1234tetrahydroisoquinoline3carboxamide
(3S)N((2S)1(24dimethylanilino)4methyl1oxopentan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((R)1((24dimethylphenyl)amino)4methyl1oxopentan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CC(C(C@@H)(C(=O)Nc1ccc(cc1C)C)NC(=O)(C@H)1NCc2c(C1)cccc2)C
CC(C(C@H)(C(=O)Nc1ccc(cc1C)C)NC(=O)(C@H)1NCc2c(C1)cccc2)CCl
CC1=CC(=C(C=C1)NC(=O)C(CC(C)C)NC(=O)C2CC3=CC=CC=C3CN2)C
InChI=1SC24H31N3O2c115(2)1122(24(29)262010916(3)1217(20)4)2723(28)211318756819(18)142521h5101215212225H111314H214H3(H2629)(H2728)t2122m0s1
MFCD06778042
ZINC000035361706
ZINC35361706

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Available files

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