Vitas-M small molecule compound

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

Catalog ID
STL162163
SMILES CCCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)/N=c\1/scn[nH]1

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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 C20H24N4O2S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O2S/c1-2-3-12-24-18(26)15-9-5-4-8-14(15)16(20(24)10-6-7-11-20)17(25)22-19-23-21-13-27-19/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,22,23,25)
InChIKey
CNLCXWQVNAVRBI-UHFFFAOYSA-N
Synonyms
1323955-54-9
1323955549
2butyl1oxoN((2E)134thiadiazol2(3H)ylidene)14dihydro2Hspiro(cyclopentane13isoquinoline)4carboxamide
2butyl1oxoN(134thiadiazol2yl)spiro(4Hisoquinoline31cyclopentane)4carboxamide
CCCCN1C(=O)C2=CC=CC=C2C(C13CCCC3)C(=O)NC4=NN=CS4
CCCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)N=c1scn(nH)1
InChI=1SC20H24N4O2Sc123122418(26)15954814(15)16(20(24)10671120)17(25)22192321132719h45891316H23671012H21H3(H222325)
MFCD20759598
ZINC000071281843
ZINC000071281845

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Available files

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