Vitas-M small molecule compound
ethyl 3-amino-4-(2-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate
Catalog ID
STK887458
SMILES CCOC(=O)c1sc2c(c1N)c(c1ccccc1Cl)c1c(n2)CCCCC1
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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 C21H21ClN2O2S MW 400.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-6-7-10-14(12)22)13-9-4-3-5-11-15(13)24-20(17)27-19/h6-8,10H,2-5,9,11,23H2,1H3InChIKey
FMALHRVOPTWHFH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C2=C(C3=C(CCCCC3)N=C2S1)C4=CC=CC=C4Cl)N
ethyl3amino4(2chlorophenyl)6789tetrahydro5Hcyclohepta(b)thieno(32e)pyridine2carboxylate
InChI=1SC21H21ClN2O2Sc122621(25)1918(23)1716(128671014(12)22)1394351115(13)2420(17)2719h6810H2591123H21H3
MFCD15111174
ZINC000002925642
ZINC02925642
ZINC2925642
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