Vitas-M small molecule compound
(2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(2-methoxy-5-nitrophenyl)prop-2-enenitrile
Catalog ID
STL052410
SMILES N#C/C(=C\c1cc(ccc1OC)[N+](=O)[O-])/c1scc(n1)c1cc2cc(Br)ccc2oc1=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 C22H12BrN3O5S MW 510.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12BrN3O5S/c1-30-19-5-3-16(26(28)29)8-12(19)6-14(10-24)21-25-18(11-32-21)17-9-13-7-15(23)2-4-20(13)31-22(17)27/h2-9,11H,1H3/b14-6+InChIKey
NGJVAQCTEVRWOS-MKMNVTDBSA-NSynonyms
683256-16-8(2E)2(4(6bromo2oxo2Hchromen3yl)13thiazol2yl)3(2methoxy5nitrophenyl)prop2enenitrile
(E)2(4(6bromo2oxo2Hchromen3yl)thiazol2yl)3(2methoxy5nitrophenyl)acrylonitrile
(E)2(4(6BROMO2OXOCHROMEN3YL)13THIAZOL2YL)3(2METHOXY5NITROPHENYL)PROP2ENENITRILE
683256168
COC1=C(C=C(C=C1)(N+)(=O)(O))C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O
InChI=1SC22H12BrN3O5Sc130195316(26(28)29)812(19)614(1024)212518(113221)17913715(23)2420(13)3122(17)27h2911H1H3b146+
MFCD03672318
N#CC(=Cc1cc(ccc1OC)(N+)(=O)(O))c1scc(n1)c1cc2cc(Br)ccc2oc1=O
ZINC000009359169
ZINC09359169
ZINC9359169
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