Vitas-M small molecule compound
2,4-dibromo-6-[(Z)-{[3-(tert-butoxycarbonyl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]imino}methyl]phenolate
Catalog ID
STL045205
SMILES Brc1cc(/C=N\c2sc3c(c2C(=O)OC(C)(C)C)CC[NH+](C3)C)c(c(c1)Br)[O-]
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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 C20H22Br2N2O3S MW 530.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22Br2N2O3S/c1-20(2,3)27-19(26)16-13-5-6-24(4)10-15(13)28-18(16)23-9-11-7-12(21)8-14(22)17(11)25/h7-9,25H,5-6,10H2,1-4H3/b23-9-InChIKey
ZUKRFAFOYSCTIR-AQHIEDMUSA-NSynonyms
24dibromo6((Z)((3(tertbutoxycarbonyl)6methyl4567tetrahydrothieno(23c)pyridin6ium2yl)imino)methyl)phenolate
24dibromo6((Z)(6methyl3((2methylpropan2yl)oxycarbonyl)4567tetrahydrothieno(23c)pyridin6ium2yl)iminomethyl)phenolate
Brc1cc(C=Nc2sc3c(c2C(=O)OC(C)(C)C)CC(NH+)(C3)C)c(c(c1)Br)(O)
InChI=1SC20H22Br2N2O3Sc120(23)2719(26)16135624(4)1015(13)2818(16)23911712(21)814(22)17(11)25h7925H5610H214H3b239
MFCD02236155
ZINC000100771380
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