Vitas-M small molecule compound
(3S)-N-[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Catalog ID
STL534613
SMILES O=C([C@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
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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 C25H23N3O4 MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4/c29-24(20-12-17-8-4-5-9-18(17)14-26-20)28-23(16-6-2-1-3-7-16)25(30)27-19-10-11-21-22(13-19)32-15-31-21/h1-11,13,20,23,26H,12,14-15H2,(H,27,30)(H,28,29)/t20-,23+/m0/s1InChIKey
OGAOLUYPEVGMKN-NZQKXSOJSA-NSynonyms
(3~(S))~(N)((1~(R))2(13benzodioxol5ylamino)2oxo1phenylethyl)1234tetrahydroisoquinoline3carboxamide
(3S)N((1R)2(13benzodioxol5ylamino)2oxo1phenylethyl)1234tetrahydroisoquinoline3carboxamide
(S)N((R)2(benzo(d)(13)dioxol5ylamino)2oxo1phenylethyl)1234tetrahydroisoquinoline3carboxamidehydrochloride
16404442
InChI=1SC25H23N3O4c2924(201217845918(17)142620)2823(166213716)25(30)271910112122(1319)32153121h11113202326H121415H2(H2730)(H2829)t2023+m0s1
O=C((C@H)1NCc2c(C1)cccc2)N(C@@H)(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1Cl
ZINC000035485265
ZINC35485265
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