Vitas-M small molecule compound
N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Catalog ID
STL250440
SMILES COCc1n[nH]/c(=N\C(=O)c2cn(CCc3ccc(cc3)OC)c(=O)c3c2cccc3)/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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-30-14-20-25-26-23(32-20)24-21(28)19-13-27(22(29)18-6-4-3-5-17(18)19)12-11-15-7-9-16(31-2)10-8-15/h3-10,13H,11-12,14H2,1-2H3,(H,24,26,28)InChIKey
SNTSFVZCORTCRU-UHFFFAOYSA-NSynonyms
1324070-61-21324070612
COCC1=NN=C(S1)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)CCC4=CC=C(C=C4)OC
COCc1n(nH)c(=NC(=O)c2cn(CCc3ccc(cc3)OC)c(=O)c3c2cccc3)s1
InChI=1SC23H22N4O4Sc1301420252623(3220)2421(28)191327(22(29)18643517(18)19)1211157916(312)10815h31013H111214H212H3(H242628)
MFCD24852343
N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)2(2(4methoxyphenyl)ethyl)1oxo12dihydroisoquinoline4carboxamide
N(5(methoxymethyl)134thiadiazol2yl)2(2(4methoxyphenyl)ethyl)1oxoisoquinoline4carboxamide
ZINC000071285297
ZINC71285297
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