Vitas-M small molecule compound
(3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Catalog ID
STK612734
SMILES O=C(Nc1ccc2c(c1)OCCO2)CNC(=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 C20H21N3O4 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4/c24-19(23-15-5-6-17-18(10-15)27-8-7-26-17)12-22-20(25)16-9-13-3-1-2-4-14(13)11-21-16/h1-6,10,16,21H,7-9,11-12H2,(H,22,25)(H,23,24)/t16-/m0/s1InChIKey
GFBFEDLXWFBXLW-INIZCTEOSA-NSynonyms
(3S)N(2(23dihydro14benzodioxin6ylamino)2oxoethyl)1234tetrahydroisoquinoline3carboxamide
(S)N(2((23dihydrobenzo(b)(14)dioxin6yl)amino)2oxoethyl)1234tetrahydroisoquinoline3carboxamidehydrochloride
C1COC2=C(O1)C=CC(=C2)NC(=O)CNC(=O)C3CC4=CC=CC=C4CN3
InChI=1SC20H21N3O4c2419(2315561718(1015)27872617)122220(25)16913312414(13)112116h16101621H791112H2(H2225)(H2324)t16m0s1
MFCD06772016
O=C(Nc1ccc2c(c1)OCCO2)CNC(=O)(C@H)1NCc2c(C1)cccc2
O=C(Nc1ccc2c(c1)OCCO2)CNC(=O)(C@H)1NCc2c(C1)cccc2Cl
ZINC000035485462
ZINC35485462
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