Vitas-M small molecule compound
2-[2-(2-methoxyphenyl)ethyl]-N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
Catalog ID
STK659200
SMILES COc1ccccc1CCN1C(=O)c2c(C1=O)cc(cc2)C(=O)/N=c/1\[nH]nc(s1)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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-12-23-24-21(30-12)22-18(26)14-7-8-15-16(11-14)20(28)25(19(15)27)10-9-13-5-3-4-6-17(13)29-2/h3-8,11H,9-10H2,1-2H3,(H,22,24,26)InChIKey
KZXSMAOEOVLIJF-UHFFFAOYSA-NSynonyms
1144448-06-51144448065
2(2(2methoxyphenyl)ethyl)N((2E)5methyl134thiadiazol2(3H)ylidene)13dioxo23dihydro1Hisoindole5carboxamide
2(2(2methoxyphenyl)ethyl)N(5methyl134thiadiazol2yl)13dioxoisoindole5carboxamide
CC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4OC
COc1ccccc1CCN1C(=O)c2c(C1=O)cc(cc2)C(=O)N=c1(nH)nc(s1)C
InChI=1SC21H18N4O4Sc112232421(3012)2218(26)14781516(1114)20(28)25(19(15)27)10913534617(13)292h3811H910H212H3(H222426)
MFCD18168639
ZINC000031810128
ZINC31810128
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