Vitas-M small molecule compound
(3S)-N-{(2S)-3-methyl-1-[(3-methylphenyl)amino]-1-oxobutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Catalog ID
STK603882
SMILES Cc1cccc(c1)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 C22H27N3O2 MW 365.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O2/c1-14(2)20(22(27)24-18-10-6-7-15(3)11-18)25-21(26)19-12-16-8-4-5-9-17(16)13-23-19/h4-11,14,19-20,23H,12-13H2,1-3H3,(H,24,27)(H,25,26)/t19-,20-/m0/s1InChIKey
XLCBKSBZZWPZKI-PMACEKPBSA-NSynonyms
(3S)N((2S)3methyl1((3methylphenyl)amino)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(3S)N((2S)3methyl1(3methylanilino)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((S)3methyl1oxo1(mtolylamino)butan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CC1=CC(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CC3=CC=CC=C3CN2
Cc1cccc(c1)NC(=O)(C@H)(C(C)C)NC(=O)(C@H)1NCc2c(C1)cccc2
Cc1cccc(c1)NC(=O)(C@H)(C(C)C)NC(=O)(C@H)1NCc2c(C1)cccc2Cl
InChI=1SC22H27N3O2c114(2)20(22(27)2418106715(3)1118)2521(26)191216845917(16)132319h41114192023H1213H213H3(H2427)(H2526)t1920m0s1
MFCD06782644
ZINC000035485456
ZINC35485456
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