Vitas-M small molecule compound
4-chloro-2-[(E)-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]imino}methyl]phenolate
Catalog ID
STL045316
SMILES CCOC(=O)c1c(/N=C/c2cc(Cl)ccc2[O-])sc2c1CC[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 C18H19ClN2O3S MW 378.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN2O3S/c1-3-24-18(23)16-13-6-7-21(2)10-15(13)25-17(16)20-9-11-8-12(19)4-5-14(11)22/h4-5,8-9,22H,3,6-7,10H2,1-2H3/b20-9+InChIKey
XDXZVVMHFFPCSH-AWQFTUOYSA-NSynonyms
4chloro2((E)((3(ethoxycarbonyl)6methyl4567tetrahydrothieno(23c)pyridin6ium2yl)imino)methyl)phenolate
CCOC(=O)c1c(N=Cc2cc(Cl)ccc2(O))sc2c1CC(NH+)(C2)C
MFCD01147334
ZINC000001906494
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