Vitas-M small molecule compound
2'-butyl-1'-oxo-N-[(2E)-1,3,4-thiadiazol-2(3H)-ylidene]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Catalog ID
STL160602
SMILES CCCCN1C(=O)c2ccccc2C(C21CCCCC2)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 C21H26N4O2S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S/c1-2-3-13-25-19(27)16-10-6-5-9-15(16)17(21(25)11-7-4-8-12-21)18(26)23-20-24-22-14-28-20/h5-6,9-10,14,17H,2-4,7-8,11-13H2,1H3,(H,23,24,26)InChIKey
LIHLNQIALIEVOK-UHFFFAOYSA-NSynonyms
1323955-01-61323955016
2butyl1oxoN((2E)134thiadiazol2(3H)ylidene)14dihydro2Hspiro(cyclohexane13isoquinoline)4carboxamide
2butyl1oxoN(134thiadiazol2yl)spiro(4Hisoquinoline31cyclohexane)4carboxamide
CCCCN1C(=O)C2=CC=CC=C2C(C13CCCCC3)C(=O)NC4=NN=CS4
CCCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N=c1scn(nH)1
InChI=1SC21H26N4O2Sc123132519(27)161065915(16)17(21(25)117481221)18(26)23202422142820h569101417H24781113H21H3(H232426)
MFCD20759081
ZINC000071280244
ZINC000071280245
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