Vitas-M small molecule compound
4-bromo-2-ethoxy-6-[(E)-{[3-(methoxycarbonyl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]imino}methyl]phenolate
Catalog ID
STL044398
SMILES CCOc1cc(Br)cc(c1[O-])/C=N/c1sc2c(c1C(=O)OC)CC[NH+](C2)C
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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 C19H21BrN2O4S MW 453.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrN2O4S/c1-4-26-14-8-12(20)7-11(17(14)23)9-21-18-16(19(24)25-3)13-5-6-22(2)10-15(13)27-18/h7-9,23H,4-6,10H2,1-3H3/b21-9+InChIKey
DZTWHHSZEZWVSR-ZVBGSRNCSA-NSynonyms
4bromo2ethoxy6((E)((3(methoxycarbonyl)6methyl4567tetrahydrothieno(23c)pyridin6ium2yl)imino)methyl)phenolate
4bromo2ethoxy6((E)(3methoxycarbonyl6methyl4567tetrahydrothieno(23c)pyridin6ium2yl)iminomethyl)phenolate
CCOC1=C(C(=CC(=C1)Br)C=NC2=C(C3=C(S2)C(NH+)(CC3)C)C(=O)OC)(O)
CCOc1cc(Br)cc(c1(O))C=Nc1sc2c(c1C(=O)OC)CC(NH+)(C2)C
InChI=1SC19H21BrN2O4Sc142614812(20)711(17(14)23)9211816(19(24)253)135622(2)1015(13)2718h7923H4610H213H3b219+
MFCD01147608
ZINC000008920618
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