Vitas-M small molecule compound
N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STK943611
SMILES COc1ccc(cc1)C1C(C(=O)/N=c/2\sc3c([nH]2)cccc3)c2ccccc2C(=O)N1C
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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 C25H21N3O3S MW 443.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O3S/c1-28-22(15-11-13-16(31-2)14-12-15)21(17-7-3-4-8-18(17)24(28)30)23(29)27-25-26-19-9-5-6-10-20(19)32-25/h3-14,21-22H,1-2H3,(H,26,27,29)InChIKey
FEBCEFRBBZOSBA-UHFFFAOYSA-NSynonyms
442888-92-8442888928
CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)OC
COc1ccc(cc1)C1C(C(=O)N=c2sc3c((nH)2)cccc3)c2ccccc2C(=O)N1C
InChI=1SC25H21N3O3Sc12822(15111316(312)141215)21(17734818(17)24(28)30)23(29)272526199561020(19)3225h3142122H12H3(H262729)
MFCD18180442
N((2Z)13benzothiazol2(3H)ylidene)3(4methoxyphenyl)2methyl1oxo1234tetrahydroisoquinoline4carboxamide
N(13BENZOTHIAZOL2YL)3(4METHOXYPHENYL)2METHYL1OXO34DIHYDROISOQUINOLINE4CARBOXAMIDE
ZINC000003657630
ZINC000003657633
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