Vitas-M small molecule compound
N-[(2Z)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STK930535
SMILES COCc1n[nH]/c(=N/C(=O)C2c3ccccc3C(=O)N(C2c2ccc(cc2)OC)C)/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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-26-19(13-8-10-14(30-3)11-9-13)18(15-6-4-5-7-16(15)21(26)28)20(27)23-22-25-24-17(31-22)12-29-2/h4-11,18-19H,12H2,1-3H3,(H,23,25,27)InChIKey
RKMMLEFEXNWXFB-UHFFFAOYSA-NSynonyms
1190285-57-41190285574
CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NN=C(S3)COC)C4=CC=C(C=C4)OC
COCc1n(nH)c(=NC(=O)C2c3ccccc3C(=O)N(C2c2ccc(cc2)OC)C)s1
InChI=1SC22H22N4O4Sc12619(1381014(303)11913)18(15645716(15)21(26)28)20(27)2322252417(3122)12292h4111819H12H213H3(H232527)
MFCD18176676
N((2Z)5(methoxymethyl)134thiadiazol2(3H)ylidene)3(4methoxyphenyl)2methyl1oxo1234tetrahydroisoquinoline4carboxamide
N(5(methoxymethyl)134thiadiazol2yl)3(4methoxyphenyl)2methyl1oxo34dihydroisoquinoline4carboxamide
ZINC000036358246
ZINC000036358249
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