Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-3-hydroxy-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
Catalog ID
STL329525
SMILES COc1cc(ccc1OC)C1(O)C[N+](=C2N1CCCS2)c1ccccc1
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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 C20H23N2O3S MW 371.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N2O3S/c1-24-17-10-9-15(13-18(17)25-2)20(23)14-21(16-7-4-3-5-8-16)19-22(20)11-6-12-26-19/h3-5,7-10,13,23H,6,11-12,14H2,1-2H3/q+1InChIKey
KHGWKLJOCHPIIP-UHFFFAOYSA-NSynonyms
3(34dimethoxyphenyl)1phenyl2567tetrahydroimidazo(21b)(13)thiazin4ium3ol
3(34DIMETHOXYPHENYL)1PHENYL5H6H7H2IMIDAZOLINO(21B)13THIAZAPERHYDROIN3OL
3(34dimethoxyphenyl)3hydroxy1phenyl2367tetrahydro5Himidazo(21b)(13)thiazin1ium
COC1=C(C=C(C=C1)C2(CN(C3=(N+)2CCCS3)C4=CC=CC=C4)O)OC
COc1cc(ccc1OC)C1(O)C(N+)(=C2N1CCCS2)c1ccccc1
InChI=1SC20H23N2O3Sc1241710915(1318(17)252)20(23)1421(167435816)1922(20)116122619h357101323H6111214H212H3q+1
MFCD02935718
ZINC000013785451
ZINC000013785453
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