Vitas-M small molecule compound
2-cycloheptyl-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
Catalog ID
STK658862
SMILES COCc1n[nH]/c(=N\C(=O)c2ccc3c(c2)C(=O)N(C3=O)C2CCCCCC2)/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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-28-11-16-22-23-20(29-16)21-17(25)12-8-9-14-15(10-12)19(27)24(18(14)26)13-6-4-2-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,21,23,25)InChIKey
SIJRPLGQKKUIEV-UHFFFAOYSA-NSynonyms
1144428-48-71144428487
2cycloheptylN((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)13dioxo23dihydro1Hisoindole5carboxamide
2cycloheptylN(5(methoxymethyl)134thiadiazol2yl)13dioxoisoindole5carboxamide
COCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCCC4
COCc1n(nH)c(=NC(=O)c2ccc3c(c2)C(=O)N(C3=O)C2CCCCCC2)s1
InChI=1SC20H22N4O4Sc1281116222320(2916)2117(25)12891415(1012)19(27)24(18(14)26)1364235713h81013H2711H21H3(H212325)
MFCD18168516
ZINC000031811284
ZINC31811284
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