Vitas-M small molecule compound
2-[2-(4-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
STK660136
SMILES COc1ccc(cc1)CCN1C(=O)c2c(C1=O)ccc(c2)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)14-5-8-16-17(11-14)20(28)25(19(16)27)10-9-13-3-6-15(29-2)7-4-13/h3-8,11H,9-10H2,1-2H3,(H,22,24,26)InChIKey
KNVWGDJYCSQGGC-UHFFFAOYSA-NSynonyms
1144476-04-91144476049
2(2(4methoxyphenyl)ethyl)N((2E)5methyl134thiadiazol2(3H)ylidene)13dioxo23dihydro1Hisoindole5carboxamide
2(2(4methoxyphenyl)ethyl)N(5methyl134thiadiazol2yl)13dioxoisoindole5carboxamide
CC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=C(C=C4)OC
COc1ccc(cc1)CCN1C(=O)c2c(C1=O)ccc(c2)C(=O)N=c1(nH)nc(s1)C
InChI=1SC21H18N4O4Sc112232421(3012)2218(26)14581617(1114)20(28)25(19(16)27)109133615(292)7413h3811H910H212H3(H222426)
MFCD18168966
ZINC000031810087
ZINC31810087
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