Vitas-M small molecule compound
methyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK427638
SMILES COC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCC2
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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 C19H19NO5S MW 373.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO5S/c1-23-19(22)16-12-5-3-2-4-6-15(12)26-18(16)20-17(21)11-7-8-13-14(9-11)25-10-24-13/h7-9H,2-6,10H2,1H3,(H,20,21)InChIKey
WVUJKMVXCUWDMJ-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC19H19NO5Sc12319(22)16125324615(12)2618(16)2017(21)11781314(911)25102413h79H2610H21H3(H2021)
methyl2((13benzodioxol5ylcarbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(13benzodioxole5carbonylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01921677
ZINC000000671892
ZINC00671892
ZINC671892
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