Vitas-M small molecule compound
ethyl 2-{[(3-bromophenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK731462
SMILES CCOC(=O)c1c(NC(=O)COc2cccc(c2)Br)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 C20H22BrNO4S MW 452.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrNO4S/c1-2-25-20(24)18-15-9-4-3-5-10-16(15)27-19(18)22-17(23)12-26-14-8-6-7-13(21)11-14/h6-8,11H,2-5,9-10,12H2,1H3,(H,22,23)InChIKey
OBVASXARULQIKO-UHFFFAOYSA-NSynonyms
309921-73-1309921731
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC3=CC(=CC=C3)Br
ethyl2(((3bromophenoxy)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2(3bromophenoxy)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2(3bromophenoxy)acetamido)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC20H22BrNO4Sc122520(24)181594351016(15)2719(18)2217(23)12261486713(21)1114h6811H2591012H21H3(H2223)
MFCD02110639
ZINC000002273029
ZINC02273029
ZINC2273029
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