Vitas-M small molecule compound

2'-butyl-N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide

Catalog ID
STL310638
SMILES CCCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)/N=c/1\[nH]nc(s1)C

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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 C22H28N4O2S MW 412.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O2S/c1-3-4-14-26-20(28)17-11-7-6-10-16(17)18(22(26)12-8-5-9-13-22)19(27)23-21-25-24-15(2)29-21/h6-7,10-11,18H,3-5,8-9,12-14H2,1-2H3,(H,23,25,27)
InChIKey
DXCGYTFEQXSGCF-UHFFFAOYSA-N
Synonyms
1401529-30-3
1401529303
2butylN((2E)5methyl134thiadiazol2(3H)ylidene)1oxo14dihydro2Hspiro(cyclohexane13isoquinoline)4carboxamide
CCCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N=c1(nH)nc(s1)C
MFCD28025638
ZINC000079477047
ZINC000079477051

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Available files

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