Vitas-M small molecule compound
2'-(butan-2-yl)-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
STL161165
SMILES CCC(N1C(=O)c2ccccc2C(C21CCCCC2)C(=O)/N=c\1/scn[nH]1)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 C21H26N4O2S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S/c1-3-14(2)25-19(27)16-10-6-5-9-15(16)17(21(25)11-7-4-8-12-21)18(26)23-20-24-22-13-28-20/h5-6,9-10,13-14,17H,3-4,7-8,11-12H2,1-2H3,(H,23,24,26)InChIKey
KNKFKXVAMBQVFP-UHFFFAOYSA-NSynonyms
1310946-98-51310946985
2(butan2yl)1oxoN((2E)134thiadiazol2(3H)ylidene)14dihydro2Hspiro(cyclohexane13isoquinoline)4carboxamide
2butan2yl1oxoN(134thiadiazol2yl)spiro(4Hisoquinoline31cyclohexane)4carboxamide
CCC(C)N1C(=O)C2=CC=CC=C2C(C13CCCCC3)C(=O)NC4=NN=CS4
CCC(N1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N=c1scn(nH)1)C
InChI=1SC21H26N4O2Sc1314(2)2519(27)161065915(16)17(21(25)117481221)18(26)23202422132820h56910131417H34781112H212H3(H232426)
MFCD20759285
ZINC000071281794
ZINC000071281800
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