Vitas-M small molecule compound
(2E)-2-(4-{2-[2-(butan-2-yl)phenoxy]ethoxy}-3-methoxybenzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK554190
SMILES CCC(c1ccccc1OCCOc1ccc(cc1OC)/C=c\1/sc2n(c1=O)c1c(n2)cccc1)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 C29H28N2O4S MW 500.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O4S/c1-4-19(2)21-9-5-8-12-24(21)34-15-16-35-25-14-13-20(17-26(25)33-3)18-27-28(32)31-23-11-7-6-10-22(23)30-29(31)36-27/h5-14,17-19H,4,15-16H2,1-3H3/b27-18+InChIKey
KKMZGMVDQUCRLT-OVVQPSECSA-NSynonyms
840471-94-5(2E)2((4(2(2butan2ylphenoxy)ethoxy)3methoxyphenyl)methylidene)(13)thiazolo(32a)benzimidazol1one
(2E)2(4(2(2(butan2yl)phenoxy)ethoxy)3methoxybenzylidene)(13)thiazolo(32a)benzimidazol3(2H)one
(E)2(4(2(2(secbutyl)phenoxy)ethoxy)3methoxybenzylidene)benzo(45)imidazo(21b)thiazol3(2H)one
840471945
CCC(C)C1=CC=CC=C1OCCOC2=C(C=C(C=C2)C=C3C(=O)N4C5=CC=CC=C5N=C4S3)OC
CCC(c1ccccc1OCCOc1ccc(cc1OC)C=c1sc2n(c1=O)c1c(n2)cccc1)C
InChI=1SC29H28N2O4Sc1419(2)219581224(21)3415163525141320(1726(25)333)182728(32)312311761022(23)3029(31)3627h5141719H41516H213H3b2718+
MFCD04005353
ZINC000009462268
ZINC000009462270
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