Vitas-M small molecule compound

N-[(2Z)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

Catalog ID
STK932093
SMILES COCc1n[nH]/c(=N/C(=O)C2c3ccccc3C(=O)N(C2c2ccccc2)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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-25-18(13-8-4-3-5-9-13)17(14-10-6-7-11-15(14)20(25)27)19(26)22-21-24-23-16(29-21)12-28-2/h3-11,17-18H,12H2,1-2H3,(H,22,24,26)
InChIKey
HIYOPYUBLHYXPV-UHFFFAOYSA-N
Synonyms
1190253-68-9
1190253689
CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NN=C(S3)COC)C4=CC=CC=C4
COCc1n(nH)c(=NC(=O)C2c3ccccc3C(=O)N(C2c2ccccc2)C)s1
InChI=1SC21H20N4O3Sc12518(138435913)17(1410671115(14)20(25)27)19(26)2221242316(2921)12282h3111718H12H212H3(H222426)
MFCD18177144
N((2Z)5(methoxymethyl)134thiadiazol2(3H)ylidene)2methyl1oxo3phenyl1234tetrahydroisoquinoline4carboxamide
N(5(methoxymethyl)134thiadiazol2yl)2methyl1oxo3phenyl34dihydroisoquinoline4carboxamide
ZINC000036360107
ZINC000036360110

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Available files

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