Vitas-M small molecule compound
(2Z)-2-(5-nitro-2-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK098850
SMILES C=CCc1ccccc1OCCOc1ccc(cc1/C=c/1\sc2n(c1=O)c1c(n2)cccc1)[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 C27H21N3O5S MW 499.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O5S/c1-2-7-18-8-3-6-11-23(18)34-14-15-35-24-13-12-20(30(32)33)16-19(24)17-25-26(31)29-22-10-5-4-9-21(22)28-27(29)36-25/h2-6,8-13,16-17H,1,7,14-15H2/b25-17-InChIKey
GQOHWJREMHBANP-UQQQWYQISA-NSynonyms
(2Z)2((5NITRO2(2(2PROP2ENYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2Z)2(5NITRO2(2(2(PROP2EN1YL)PHENOXY)ETHOXY)BENZYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL3(2H)ONE
(Z)2(2(2(2allylphenoxy)ethoxy)5nitrobenzylidene)benzo(45)imidazo(21b)thiazol3(2H)one
C=CCC1=CC=CC=C1OCCOC2=C(C=C(C=C2)(N+)(=O)(O))C=C3C(=O)N4C5=CC=CC=C5N=C4S3
C=CCc1ccccc1OCCOc1ccc(cc1C=c1sc2n(c1=O)c1c(n2)cccc1)(N+)(=O)(O)
InChI=1SC27H21N3O5Sc127188361123(18)3414153524131220(30(32)33)1619(24)172526(31)29221054921(22)2827(29)3625h268131617H171415H2b2517
MFCD02121800
STK098850
ZINC000008837667
ZINC08837667
ZINC8837667
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.