Vitas-M small molecule compound
2'-cyclohexyl-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
STL242609
SMILES O=C(C1c2ccccc2C(=O)N(C21CCCCC2)C1CCCCC1)/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 C23H28N4O2S MW 424.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O2S/c28-20(25-22-26-24-15-30-22)19-17-11-5-6-12-18(17)21(29)27(16-9-3-1-4-10-16)23(19)13-7-2-8-14-23/h5-6,11-12,15-16,19H,1-4,7-10,13-14H2,(H,25,26,28)InChIKey
BKGSBGZSJPSVBF-UHFFFAOYSA-NSynonyms
1351671-06-11351671061
2cyclohexyl1oxoN((2E)134thiadiazol2(3H)ylidene)14dihydro2Hspiro(cyclohexane13isoquinoline)4carboxamide
2cyclohexyl1oxoN(134thiadiazol2yl)spiro(4Hisoquinoline31cyclohexane)4carboxamide
C1CCC(CC1)N2C(=O)C3=CC=CC=C3C(C24CCCCC4)C(=O)NC5=NN=CS5
InChI=1SC23H28N4O2Sc2820(25222624153022)191711561218(17)21(29)27(1693141016)23(19)137281423h561112151619H147101314H2(H252628)
MFCD24859351
O=C(C1c2ccccc2C(=O)N(C21CCCCC2)C1CCCCC1)N=c1scn(nH)1
ZINC000072400954
ZINC000072400955
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