Vitas-M small molecule compound
methyl 2-{[(3-bromophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK443397
SMILES COC(=O)c1c(NC(=O)c2cccc(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 C18H18BrNO3S MW 408.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrNO3S/c1-23-18(22)15-13-8-3-2-4-9-14(13)24-17(15)20-16(21)11-6-5-7-12(19)10-11/h5-7,10H,2-4,8-9H2,1H3,(H,20,21)InChIKey
ZFEJEXAPTXKFPZ-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC=C3)Br
InChI=1SC18H18BrNO3Sc12318(22)15138324914(13)2417(15)2016(21)1165712(19)1011h5710H2489H21H3(H2021)
methyl2(((3bromophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((3bromobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD03366422
ZINC000000669659
ZINC00669659
ZINC669659
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