Vitas-M small molecule compound
4'-cyano-1'-methyl-N-phenyl-6',7',8',9'-tetrahydrospiro[cyclohexane-1,3'-pyrido[2,1-b][1,3]benzothiazole]-2'-carboxamide
Catalog ID
STK709574
SMILES N#CC1=c2sc3c(n2C(=C(C21CCCCC2)C(=O)Nc1ccccc1)C)CCCC3
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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 C25H27N3OS MW 417.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3OS/c1-17-22(23(29)27-18-10-4-2-5-11-18)25(14-8-3-9-15-25)19(16-26)24-28(17)20-12-6-7-13-21(20)30-24/h2,4-5,10-11H,3,6-9,12-15H2,1H3,(H,27,29)InChIKey
KALBMHMFUOPSIQ-UHFFFAOYSA-NSynonyms
4cyano1methylNphenyl6789tetrahydrospiro(cyclohexane13pyrido(21b)(13)benzothiazole)2carboxamide
4cyano1methylNphenylspiro(6789tetrahydropyrido(21b)(13)benzothiazole31cyclohexane)2carboxamide
CC1=C(C2(CCCCC2)C(=C3N1C4=C(S3)CCCC4)C#N)C(=O)NC5=CC=CC=C5
InChI=1SC25H27N3OSc11722(23(29)2718104251118)25(148391525)19(1626)2428(17)2012671321(20)3024h2451011H3691215H21H3(H2729)
MFCD02713001
ZINC000004558101
ZINC04558101
ZINC4558101
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