Vitas-M small molecule compound

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

Catalog ID
STK398516
SMILES CC(OC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCC2)C

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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/c1-12(2)27-21(24)18-14-6-4-3-5-7-17(14)28-20(18)22-19(23)13-8-9-15-16(10-13)26-11-25-15/h8-10,12H,3-7,11H2,1-2H3,(H,22,23)
InChIKey
TZNLUPUWEKFBLT-UHFFFAOYSA-N
Synonyms

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H23NO5Sc112(2)2721(24)18146435717(14)2820(18)2219(23)13891516(1013)26112515h81012H3711H212H3(H2223)
MFCD01648124
propan2yl2((13benzodioxol5ylcarbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propan2yl2(13benzodioxole5carbonylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000005481866
ZINC05481866
ZINC5481866

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Available files

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