Vitas-M small molecule compound
(2Z)-2-{2-[2-(3-ethyl-5-methylphenoxy)ethoxy]-5-nitrobenzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK010365
SMILES CCc1cc(OCCOc2ccc(cc2/C=c/2\sc3n(c2=O)c2c(n3)cccc2)[N+](=O)[O-])cc(c1)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 C27H23N3O5S MW 501.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O5S/c1-3-18-12-17(2)13-21(14-18)34-10-11-35-24-9-8-20(30(32)33)15-19(24)16-25-26(31)29-23-7-5-4-6-22(23)28-27(29)36-25/h4-9,12-16H,3,10-11H2,1-2H3/b25-16-InChIKey
GMYKMZWWQFLHIN-XYGWBWBKSA-NSynonyms
(2Z)2((2(2(3ETHYL5METHYLPHENOXY)ETHOXY)5NITROPHENYL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2Z)2(2(2(3ETHYL5METHYLPHENOXY)ETHOXY)5NITROBENZYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL3(2H)ONE
(Z)2(2(2(3ethyl5methylphenoxy)ethoxy)5nitrobenzylidene)benzo(45)imidazo(21b)thiazol3(2H)one
CCC1=CC(=CC(=C1)C)OCCOC2=C(C=C(C=C2)(N+)(=O)(O))C=C3C(=O)N4C5=CC=CC=C5N=C4S3
CCc1cc(OCCOc2ccc(cc2C=c2sc3n(c2=O)c2c(n3)cccc2)(N+)(=O)(O))cc(c1)C
InChI=1SC27H23N3O5Sc13181217(2)1321(1418)34101135249820(30(32)33)1519(24)162526(31)2923754622(23)2827(29)3625h491216H31011H212H3b2516
MFCD02121843
STK010365
ZINC000008836880
ZINC08836880
ZINC8836880
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