Vitas-M small molecule compound

3-(1,3-benzodioxol-5-yl)-N-(1,3-dihydro-2H-benzimidazol-2-ylidene)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

Catalog ID
STK938881
SMILES O=C(C1c2ccccc2C(=O)N(C1c1ccc2c(c1)OCO2)C)/N=c/1\[nH]c2c([nH]1)cccc2

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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 C25H20N4O4 MW 440.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O4/c1-29-22(14-10-11-19-20(12-14)33-13-32-19)21(15-6-2-3-7-16(15)24(29)31)23(30)28-25-26-17-8-4-5-9-18(17)27-25/h2-12,21-22H,13H2,1H3,(H2,26,27,28,30)
InChIKey
WDTMLQIKEMROTI-UHFFFAOYSA-N
Synonyms
1219580-40-1
3(13benzodioxol5yl)N(13dihydro2Hbenzimidazol2ylidene)2methyl1oxo1234tetrahydroisoquinoline4carboxamide
CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NC4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6
N(1Hbenzimidazol2yl)3(13benzodioxol5yl)2methyl1oxo34dihydroisoquinoline4carboxamide
O=C(C1c2ccccc2C(=O)N(C1c1ccc2c(c1)OCO2)C)N=c1(nH)c2c((nH)1)cccc2
Registry IDs
MFCD18179086
ZINC000040267599
ZINC000040267602

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Available files

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