Vitas-M small molecule compound
(3S)-N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Catalog ID
STK579164
SMILES O=C([C@@H](c1ccccc1)NC(=O)[C@H]1NCc2c(C1)cccc2)Nc1ccc2c(c1)OCCO2
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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 C26H25N3O4 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4/c30-25(21-14-18-8-4-5-9-19(18)16-27-21)29-24(17-6-2-1-3-7-17)26(31)28-20-10-11-22-23(15-20)33-13-12-32-22/h1-11,15,21,24,27H,12-14,16H2,(H,28,31)(H,29,30)/t21-,24+/m0/s1InChIKey
WYGKXRDKUALKAK-XUZZJYLKSA-NSynonyms
(3S)N((1R)2(23dihydro14benzodioxin6ylamino)2oxo1phenylethyl)1234tetrahydroisoquinoline3carboxamide
(S)N((R)2((23dihydrobenzo(b)(14)dioxin6yl)amino)2oxo1phenylethyl)1234tetrahydroisoquinoline3carboxamidehydrochloride
C1COC2=C(O1)C=CC(=C2)NC(=O)C(C3=CC=CC=C3)NC(=O)C4CC5=CC=CC=C5CN4
InChI=1SC26H25N3O4c3025(211418845919(18)162721)2924(176213717)26(31)282010112223(1520)3313123222h11115212427H121416H2(H2831)(H2930)t2124+m0s1
MFCD06781033
O=C((C@@H)(c1ccccc1)NC(=O)(C@H)1NCc2c(C1)cccc2)Nc1ccc2c(c1)OCCO2
O=C((C@@H)(c1ccccc1)NC(=O)(C@H)1NCc2c(C1)cccc2)Nc1ccc2c(c1)OCCO2Cl
ZINC000035485637
ZINC35485637
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