Vitas-M small molecule compound
(3S)-N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Catalog ID
STK587326
SMILES O=C([C@@H](NC(=O)[C@H]1NCc2c(C1)cccc2)C)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 C21H23N3O4 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4/c1-13(20(25)24-16-6-7-18-19(11-16)28-9-8-27-18)23-21(26)17-10-14-4-2-3-5-15(14)12-22-17/h2-7,11,13,17,22H,8-10,12H2,1H3,(H,23,26)(H,24,25)/t13-,17-/m0/s1InChIKey
IMVHJZFTAOUMPD-GUYCJALGSA-NSynonyms
(3S)N((2S)1(23dihydro14benzodioxin6ylamino)1oxopropan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((R)1((23dihydrobenzo(b)(14)dioxin6yl)amino)1oxopropan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CC(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)C3CC4=CC=CC=C4CN3
InChI=1SC21H23N3O4c113(20(25)2416671819(1116)28982718)2321(26)171014423515(14)122217h2711131722H81012H21H3(H2326)(H2425)t1317m0s1
MFCD06782263
O=C((C@@H)(NC(=O)(C@H)1NCc2c(C1)cccc2)C)Nc1ccc2c(c1)OCCO2
O=C((C@H)(NC(=O)(C@H)1NCc2c(C1)cccc2)C)Nc1ccc2c(c1)OCCO2Cl
ZINC000035374873
ZINC35374873
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