Vitas-M small molecule compound

propyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK427637
SMILES CCCOC(=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 C21H23NO5S MW 401.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5S/c1-2-10-25-21(24)18-14-6-4-3-5-7-17(14)28-20(18)22-19(23)13-8-9-15-16(11-13)27-12-26-15/h8-9,11H,2-7,10,12H2,1H3,(H,22,23)
InChIKey
OHALINUJOXUXPV-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H23NO5Sc12102521(24)18146435717(14)2820(18)2219(23)13891516(1113)27122615h8911H271012H21H3(H2223)
MFCD01354722
propyl2((13benzodioxol5ylcarbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propyl2(13benzodioxole5carbonylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000002739859
ZINC02739859
ZINC2739859

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Available files

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