Vitas-M small molecule compound
(3S)-N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-4-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Catalog ID
STK607844
SMILES CC(C[C@H](C(=O)Nc1ccc2c(c1)OCO2)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 C23H27N3O4 MW 409.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O4/c1-14(2)9-19(23(28)25-17-7-8-20-21(11-17)30-13-29-20)26-22(27)18-10-15-5-3-4-6-16(15)12-24-18/h3-8,11,14,18-19,24H,9-10,12-13H2,1-2H3,(H,25,28)(H,26,27)/t18-,19+/m0/s1InChIKey
FSSWUDMQQDPNJI-RBUKOAKNSA-NSynonyms
(3S)N((2R)1(13benzodioxol5ylamino)4methyl1oxopentan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((S)1(benzo(d)(13)dioxol5ylamino)4methyl1oxopentan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CC(C(C@@H)(C(=O)Nc1ccc2c(c1)OCO2)NC(=O)(C@H)1NCc2c(C1)cccc2)CCl
CC(C(C@H)(C(=O)Nc1ccc2c(c1)OCO2)NC(=O)(C@H)1NCc2c(C1)cccc2)C
CC(C)CC(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3CC4=CC=CC=C4CN3
InChI=1SC23H27N3O4c114(2)919(23(28)2517782021(1117)30132920)2622(27)181015534616(15)122418h381114181924H9101213H212H3(H2528)(H2627)t1819+m0s1
MFCD06770983
ZINC000035374766
ZINC35374766
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