Vitas-M small molecule compound

N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide

Catalog ID
STK646089
SMILES COCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)/N=c\1/sc2c([nH]1)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 C25H27N3O3S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3S/c1-31-16-15-28-23(30)18-10-4-3-9-17(18)21(25(28)13-7-2-8-14-25)22(29)27-24-26-19-11-5-6-12-20(19)32-24/h3-6,9-12,21H,2,7-8,13-16H2,1H3,(H,26,27,29)
InChIKey
BHVJVYWPLPQDFK-UHFFFAOYSA-N
Synonyms
1180027-18-2
1180027182
COCCN1C(=O)C2=CC=CC=C2C(C13CCCCC3)C(=O)NC4=NC5=CC=CC=C5S4
COCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N=c1sc2c((nH)1)cccc2
InChI=1SC25H27N3O3Sc13116152823(30)181043917(18)21(25(28)137281425)22(29)2724261911561220(19)3224h3691221H2781316H21H3(H262729)
MFCD18164133
N((2E)13benzothiazol2(3H)ylidene)2(2methoxyethyl)1oxo14dihydro2Hspiro(cyclohexane13isoquinoline)4carboxamide
N(13benzothiazol2yl)2(2methoxyethyl)1oxospiro(4Hisoquinoline31cyclohexane)4carboxamide
ZINC000020738476
ZINC000020738479

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.