Vitas-M small molecule compound
2'-butyl-1'-oxo-N-[(2Z)-1,3-thiazol-2(3H)-ylidene]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Catalog ID
STL318630
SMILES CCCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)/N=c/1\scc[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 C22H27N3O2S MW 397.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O2S/c1-2-3-14-25-20(27)17-10-6-5-9-16(17)18(22(25)11-7-4-8-12-22)19(26)24-21-23-13-15-28-21/h5-6,9-10,13,15,18H,2-4,7-8,11-12,14H2,1H3,(H,23,24,26)InChIKey
BVEBBZSAMMMHRR-UHFFFAOYSA-NSynonyms
1401529-94-91401529949
2butyl1oxoN((2Z)13thiazol2(3H)ylidene)14dihydro2Hspiro(cyclohexane13isoquinoline)4carboxamide
2butyl1oxoN(13thiazol2yl)spiro(4Hisoquinoline31cyclohexane)4carboxamide
CCCCN1C(=O)C2=CC=CC=C2C(C13CCCCC3)C(=O)NC4=NC=CS4
CCCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N=c1scc(nH)1
InChI=1SC22H27N3O2Sc123142520(27)171065916(17)18(22(25)117481222)19(26)24212313152821h56910131518H2478111214H21H3(H232426)
MFCD28031398
ZINC000079489750
ZINC000079489753
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