Vitas-M small molecule compound
methyl 3-amino-4-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate
Catalog ID
STL336584
SMILES COC(=O)c1sc2c(c1N)c(c1ccc(cc1)C)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 C21H22N2O2S MW 366.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O2S/c1-12-8-10-13(11-9-12)16-14-6-4-3-5-7-15(14)23-20-17(16)18(22)19(26-20)21(24)25-2/h8-11H,3-7,22H2,1-2H3InChIKey
BRGJQRQJKNITPT-UHFFFAOYSA-NSynonyms
434297-11-7434297117
CC1=CC=C(C=C1)C2=C3C(=C(SC3=NC4=C2CCCCC4)C(=O)OC)N
InChI=1SC21H22N2O2Sc11281013(11912)16146435715(14)232017(16)18(22)19(2620)21(24)252h811H3722H212H3
methyl3amino4(4methylphenyl)6789tetrahydro5Hcyclohepta(b)thieno(32e)pyridine2carboxylate
methyl3amino4(ptolyl)6789tetrahydro5Hcyclohepta(b)thieno(32e)pyridine2carboxylate
MFCD03667342
ZINC000002194593
ZINC02194593
ZINC2194593
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