Vitas-M small molecule compound
(2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(4-butoxyphenyl)amino]prop-2-enenitrile
Catalog ID
STK530040
SMILES CCCCOc1ccc(cc1)N/C=C(/c1scc(n1)c1cc2cc(Br)ccc2oc1=O)\C#N
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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 C25H20BrN3O3S MW 522.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrN3O3S/c1-2-3-10-31-20-7-5-19(6-8-20)28-14-17(13-27)24-29-22(15-33-24)21-12-16-11-18(26)4-9-23(16)32-25(21)30/h4-9,11-12,14-15,28H,2-3,10H2,1H3/b17-14+InChIKey
KMWDMCJYZFVDNR-SAPNQHFASA-NSynonyms
373619-04-6(2E)2(4(6bromo2oxo2Hchromen3yl)13thiazol2yl)3((4butoxyphenyl)amino)prop2enenitrile
(E)2(4(6bromo2oxo2Hchromen3yl)thiazol2yl)3((4butoxyphenyl)amino)acrylonitrile
(E)2(4(6BROMO2OXOCHROMEN3YL)13THIAZOL2YL)3(4BUTOXYANILINO)PROP2ENENITRILE
373619046
CCCCOC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O
CCCCOc1ccc(cc1)NC=C(c1scc(n1)c1cc2cc(Br)ccc2oc1=O)C#N
InChI=1SC25H20BrN3O3Sc1231031207519(6820)281417(1327)242922(153324)2112161118(26)4923(16)3225(21)30h491112141528H2310H21H3b1714+
MFCD01949331
ZINC000011852445
ZINC11852445
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