Vitas-M small molecule compound

methyl 2-({(E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-4,5-dimethoxybenzoate

Catalog ID
STK537008
SMILES N#C/C(=C\Nc1cc(OC)c(cc1C(=O)OC)OC)/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 C25H18BrN3O6S MW 568.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrN3O6S/c1-32-21-8-17(24(30)34-3)18(9-22(21)33-2)28-11-14(10-27)23-29-19(12-36-23)16-7-13-6-15(26)4-5-20(13)35-25(16)31/h4-9,11-12,28H,1-3H3/b14-11+
InChIKey
SDNBAJCWGZNXBT-SDNWHVSQSA-N
Synonyms

(E)methyl2((2(4(6bromo2oxo2Hchromen3yl)thiazol2yl)2cyanovinyl)amino)45dimethoxybenzoate
COC1=C(C=C(C(=C1)C(=O)OC)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)OC
InChI=1SC25H18BrN3O6Sc13221817(24(30)343)18(922(21)332)281114(1027)232919(123623)16713615(26)4520(13)3525(16)31h49111228H13H3b1411+
methyl2(((E)2(4(6bromo2oxo2Hchromen3yl)13thiazol2yl)2cyanoethenyl)amino)45dimethoxybenzoate
METHYL2(((E)2(4(6BROMO2OXOCHROMEN3YL)13THIAZOL2YL)2CYANOETHENYL)AMINO)45DIMETHOXYBENZOATE
MFCD02982487
N#CC(=CNc1cc(OC)c(cc1C(=O)OC)OC)c1scc(n1)c1cc2cc(Br)ccc2oc1=O
ZINC000001763032
ZINC1763032

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Available files

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