Vitas-M small molecule compound

N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Catalog ID
STK797798
SMILES CNC(=O)c1c(NC(=O)C2COc3c(O2)cccc3)sc2c1CCCC2

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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 C19H20N2O4S MW 372.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O4S/c1-20-18(23)16-11-6-2-5-9-15(11)26-19(16)21-17(22)14-10-24-12-7-3-4-8-13(12)25-14/h3-4,7-8,14H,2,5-6,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKey
JXFKJCRHSQMAHD-UHFFFAOYSA-N
Synonyms
381195-55-7
381195557
CNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3COC4=CC=CC=C4O3
InChI=1SC19H20N2O4Sc12018(23)1611625915(11)2619(16)2117(22)14102412734813(12)2514h347814H256910H21H3(H2023)(H2122)
MFCD02994258
N(3(methylcarbamoyl)4567tetrahydro1benzothiophen2yl)23dihydro14benzodioxine2carboxamide
N(3(methylcarbamoyl)4567tetrahydro1benzothiophen2yl)23dihydro14benzodioxine3carboxamide
N(3(methylcarbamoyl)4567tetrahydrobenzo(b)thiophen2yl)23dihydrobenzo(b)(14)dioxine2carboxamide
ZINC000000907928
ZINC000000907929

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Available files

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