Vitas-M small molecule compound

(2Z)-2-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-6,8-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one

Catalog ID
STK376475
SMILES COc1ccc(cc1c1ccc(o1)/C=c/1\sc2n(c1=O)c1c(n2)c(C)cc(c1)C)[N+](=O)[O-]

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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 C23H17N3O5S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O5S/c1-12-8-13(2)21-17(9-12)25-22(27)20(32-23(25)24-21)11-15-5-7-19(31-15)16-10-14(26(28)29)4-6-18(16)30-3/h4-11H,1-3H3/b20-11-
InChIKey
BRZPFARADJSAOM-JAIQZWGSSA-N
Synonyms

(2Z)2((5(2METHOXY5NITROPHENYL)FURAN2YL)METHYLIDENE)57DIMETHYL(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2Z)2((5(2methoxy5nitrophenyl)furan2yl)methylidene)68dimethyl(13)thiazolo(32a)benzimidazol3(2H)one
CC1=CC(=C2C(=C1)N3C(=O)C(=CC4=CC=C(O4)C5=C(C=CC(=C5)(N+)(=O)(O))OC)SC3=N2)C
COc1ccc(cc1c1ccc(o1)C=c1sc2n(c1=O)c1c(n2)c(C)cc(c1)C)(N+)(=O)(O)
InChI=1SC23H17N3O5Sc112813(2)2117(912)2522(27)20(3223(25)2421)11155719(3115)161014(26(28)29)4618(16)303h411H13H3b2011
MFCD01360101
ZINC000001064790
ZINC01064790
ZINC1064790

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Available files

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