Vitas-M small molecule compound
4-bromo-2-[(E)-{[3-(tert-butoxycarbonyl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]imino}methyl]-6-methoxyphenolate
Catalog ID
STL038727
SMILES COc1cc(Br)cc(c1[O-])/C=N/c1sc2c(c1C(=O)OC(C)(C)C)CC[NH+](C2)C
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C21H25BrN2O4S MW 481.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN2O4S/c1-21(2,3)28-20(26)17-14-6-7-24(4)11-16(14)29-19(17)23-10-12-8-13(22)9-15(27-5)18(12)25/h8-10,25H,6-7,11H2,1-5H3/b23-10+InChIKey
MTKDBSKXRGMUMR-AUEPDCJTSA-NSynonyms
4bromo2((E)((3(tertbutoxycarbonyl)6methyl4567tetrahydrothieno(23c)pyridin6ium2yl)imino)methyl)6methoxyphenolate
4bromo2methoxy6((E)(6methyl3((2methylpropan2yl)oxycarbonyl)4567tetrahydrothieno(23c)pyridin6ium2yl)iminomethyl)phenolate
CC(C)(C)OC(=O)C1=C(SC2=C1CC(NH+)(C2)C)N=CC3=CC(=CC(=C3(O))OC)Br
COc1cc(Br)cc(c1(O))C=Nc1sc2c(c1C(=O)OC(C)(C)C)CC(NH+)(C2)C
InChI=1SC21H25BrN2O4Sc121(23)2820(26)17146724(4)1116(14)2919(17)231012813(22)915(275)18(12)25h81025H6711H215H3b2310+
MFCD01147682
ZINC000009066063
Check stock
See real-time availability and sample size for STL038727 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.