Vitas-M small molecule compound
methyl 4-({(E)-2-cyano-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK878479
SMILES N#C/C(=C\Nc1ccc(cc1)C(=O)OC)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1
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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 C27H17N3O4S MW 479.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17N3O4S/c1-33-26(31)17-6-9-19(10-7-17)29-14-18(13-28)25-30-23(15-35-25)22-12-21-20-5-3-2-4-16(20)8-11-24(21)34-27(22)32/h2-12,14-15,29H,1H3/b18-14+InChIKey
OJXRUNKEJZGBRC-NBVRZTHBSA-NSynonyms
COC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O
InChI=1SC27H17N3O4Sc13326(31)176919(10717)291418(1328)253023(153525)22122120532416(20)81124(21)3427(22)32h212141529H1H3b1814+
methyl4(((E)2cyano2(4(3oxo3Hbenzo(f)chromen2yl)13thiazol2yl)ethenyl)amino)benzoate
methyl4(((E)2cyano2(4(3oxobenzo(f)chromen2yl)13thiazol2yl)ethenyl)amino)benzoate
MFCD18170319
N#CC(=CNc1ccc(cc1)C(=O)OC)c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1
ZINC000040476959
ZINC40476959
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