Vitas-M small molecule compound

N-[3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl]-2-methoxybenzamide

Catalog ID
STK595996
SMILES COc1cc(ccc1OC)c1c(NC(=O)c2ccccc2OC)sc2c(c1=O)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 C25H21NO5S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO5S/c1-29-18-10-6-4-8-16(18)24(28)26-25-22(15-12-13-19(30-2)20(14-15)31-3)23(27)17-9-5-7-11-21(17)32-25/h4-14H,1-3H3,(H,26,28)
InChIKey
KMPPAEBEIABKIQ-UHFFFAOYSA-N
Synonyms
900879-78-9
COC1=C(C=C(C=C1)C2=C(SC3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4OC)OC
N(3(34dimethoxyphenyl)4oxo4Hthiochromen2yl)2methoxybenzamide
N(3(34DIMETHOXYPHENYL)4OXOTHIOCHROMEN2YL)2METHOXYBENZAMIDE
Registry IDs
MFCD06777065
ZINC000009487056
ZINC09487056
ZINC9487056

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.