Vitas-M small molecule compound
2'-cyclopentyl-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Catalog ID
STL246919
SMILES COCc1n[nH]/c(=N\C(=O)C2c3ccccc3C(=O)N(C32CCCC3)C2CCCC2)/s1
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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 C23H28N4O3S MW 440.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O3S/c1-30-14-18-25-26-22(31-18)24-20(28)19-16-10-4-5-11-17(16)21(29)27(15-8-2-3-9-15)23(19)12-6-7-13-23/h4-5,10-11,15,19H,2-3,6-9,12-14H2,1H3,(H,24,26,28)InChIKey
ITONORBASIGEKT-UHFFFAOYSA-NSynonyms
1351671-55-01351671550
2cyclopentylN((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)1oxo14dihydro2Hspiro(cyclopentane13isoquinoline)4carboxamide
COCc1n(nH)c(=NC(=O)C2c3ccccc3C(=O)N(C32CCCC3)C2CCCC2)s1
MFCD24860721
ZINC000072400669
ZINC000072400670
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