Vitas-M small molecule compound
(3S)-N-{(2S)-1-[(2,4-dimethylphenyl)amino]-3-methyl-1-oxobutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Catalog ID
STK590967
SMILES Cc1ccc(c(c1)C)NC(=O)[C@H](C(C)C)NC(=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 C23H29N3O2 MW 379.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O2/c1-14(2)21(23(28)25-19-10-9-15(3)11-16(19)4)26-22(27)20-12-17-7-5-6-8-18(17)13-24-20/h5-11,14,20-21,24H,12-13H2,1-4H3,(H,25,28)(H,26,27)/t20-,21-/m0/s1InChIKey
DHUDTOHWNVRFMM-SFTDATJTSA-NSynonyms
(3S)N((2S)1((24dimethylphenyl)amino)3methyl1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(3S)N((2S)1(24dimethylanilino)3methyl1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((R)1((24dimethylphenyl)amino)3methyl1oxobutan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CC1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CC3=CC=CC=C3CN2)C
Cc1ccc(c(c1)C)NC(=O)(C@@H)(C(C)C)NC(=O)(C@H)1NCc2c(C1)cccc2Cl
Cc1ccc(c(c1)C)NC(=O)(C@H)(C(C)C)NC(=O)(C@H)1NCc2c(C1)cccc2
InChI=1SC23H29N3O2c114(2)21(23(28)251910915(3)1116(19)4)2622(27)201217756818(17)132420h51114202124H1213H214H3(H2528)(H2627)t2021m0s1
MFCD06778210
ZINC000035361708
ZINC35361708
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