Vitas-M small molecule compound
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
STL046579
SMILES CCOc1cccc(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 C19H22N2O4S MW 374.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O4S/c1-4-25-14-7-5-6-12(17(14)22)10-20-18-16(19(23)24-3)13-8-9-21(2)11-15(13)26-18/h5-7,10,22H,4,8-9,11H2,1-3H3/b20-10+InChIKey
SKLUYDQOAVLSOK-KEBDBYFISA-NSynonyms
2ethoxy6((E)((3(methoxycarbonyl)6methyl4567tetrahydrothieno(23c)pyridin6ium2yl)imino)methyl)phenolate
2ethoxy6((E)(3methoxycarbonyl6methyl4567tetrahydrothieno(23c)pyridin6ium2yl)iminomethyl)phenolate
CCOC1=CC=CC(=C1(O))C=NC2=C(C3=C(S2)C(NH+)(CC3)C)C(=O)OC
CCOc1cccc(c1(O))C=Nc1sc2c(c1C(=O)OC)CC(NH+)(C2)C
InChI=1SC19H22N2O4Sc14251475612(17(14)22)10201816(19(23)243)138921(2)1115(13)2618h571022H48911H213H3b2010+
MFCD01147607
ZINC000001816262
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