Vitas-M small molecule compound

N-[(2Z)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

Catalog ID
STL158786
SMILES COc1ccc(cc1)Cc1n[nH]/c(=N/C(=O)c2cn(C)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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-25-12-17(15-5-3-4-6-16(15)20(25)27)19(26)22-21-24-23-18(29-21)11-13-7-9-14(28-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,22,24,26)
InChIKey
QCVYEDAXKBKSTC-UHFFFAOYSA-N
Synonyms
1282116-79-3
1282116793
CN1C=C(C2=CC=CC=C2C1=O)C(=O)NC3=NN=C(S3)CC4=CC=C(C=C4)OC
COc1ccc(cc1)Cc1n(nH)c(=NC(=O)c2cn(C)c(=O)c3c2cccc3)s1
InChI=1SC21H18N4O3Sc1251217(15534616(15)20(25)27)19(26)2221242318(2921)11137914(282)10813h31012H11H212H3(H222426)
MFCD20758469
N((2Z)5(4methoxybenzyl)134thiadiazol2(3H)ylidene)2methyl1oxo12dihydroisoquinoline4carboxamide
N(5((4methoxyphenyl)methyl)134thiadiazol2yl)2methyl1oxoisoquinoline4carboxamide
ZINC000061720856
ZINC61720856

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Available files

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