Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-N-[(2Z)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STK930097
SMILES COCc1n[nH]/c(=N/C(=O)C2c3ccccc3C(=O)N(C2c2ccc3c(c2)OCO3)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 C22H20N4O5S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5S/c1-26-19(12-7-8-15-16(9-12)31-11-30-15)18(13-5-3-4-6-14(13)21(26)28)20(27)23-22-25-24-17(32-22)10-29-2/h3-9,18-19H,10-11H2,1-2H3,(H,23,25,27)InChIKey
ZGWLMPUYRRKKGV-UHFFFAOYSA-NSynonyms
1219555-33-51219555335
3(13benzodioxol5yl)N((2Z)5(methoxymethyl)134thiadiazol2(3H)ylidene)2methyl1oxo1234tetrahydroisoquinoline4carboxamide
3(13benzodioxol5yl)N(5(methoxymethyl)134thiadiazol2yl)2methyl1oxo34dihydroisoquinoline4carboxamide
CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NN=C(S3)COC)C4=CC5=C(C=C4)OCO5
COCc1n(nH)c(=NC(=O)C2c3ccccc3C(=O)N(C2c2ccc3c(c2)OCO3)C)s1
InChI=1SC22H20N4O5Sc12619(12781516(912)31113015)18(13534614(13)21(26)28)20(27)2322252417(3222)10292h391819H1011H212H3(H232527)
MFCD18176551
ZINC000040287353
ZINC000040287356
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