Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-N-[(2Z)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STK939739
SMILES COc1ccc2c(c1)s/c(=N\C(=O)C1c3ccccc3C(=O)N(C1c1ccc3c(c1)OCO3)C)/[nH]2
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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 C26H21N3O5S MW 487.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O5S/c1-29-23(14-7-10-19-20(11-14)34-13-33-19)22(16-5-3-4-6-17(16)25(29)31)24(30)28-26-27-18-9-8-15(32-2)12-21(18)35-26/h3-12,22-23H,13H2,1-2H3,(H,27,28,30)InChIKey
SWXVTUVGQVZUEJ-UHFFFAOYSA-NSynonyms
1219568-96-31219568963
3(13benzodioxol5yl)N((2Z)6methoxy13benzothiazol2(3H)ylidene)2methyl1oxo1234tetrahydroisoquinoline4carboxamide
3(13benzodioxol5yl)N(6methoxy13benzothiazol2yl)2methyl1oxo34dihydroisoquinoline4carboxamide
CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C5=CC6=C(C=C5)OCO6
COc1ccc2c(c1)sc(=NC(=O)C1c3ccccc3C(=O)N(C1c1ccc3c(c1)OCO3)C)(nH)2
InChI=1SC26H21N3O5Sc12923(147101920(1114)34133319)22(16534617(16)25(29)31)24(30)282627189815(322)1221(18)3526h3122223H13H212H3(H272830)
MFCD18179337
ZINC000040268016
ZINC000040268019
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