Vitas-M small molecule compound
dimethyl 5-({(Z)-2-cyano-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzene-1,3-dicarboxylate
Catalog ID
STK803828
SMILES N#C/C(=C/Nc1cc(cc(c1)C(=O)OC)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 C29H19N3O6S MW 537.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H19N3O6S/c1-36-27(33)17-9-18(28(34)37-2)11-20(10-17)31-14-19(13-30)26-32-24(15-39-26)23-12-22-21-6-4-3-5-16(21)7-8-25(22)38-29(23)35/h3-12,14-15,31H,1-2H3/b19-14-InChIKey
PMTYEEYNOARMKY-RGEXLXHISA-NSynonyms
(E)dimethyl5((2cyano2(4(3oxo3Hbenzo(f)chromen2yl)thiazol2yl)vinyl)amino)isophthalate
COC(=O)C1=CC(=CC(=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O)C(=O)OC
dimethyl5(((Z)2cyano2(4(3oxo3Hbenzo(f)chromen2yl)13thiazol2yl)ethenyl)amino)benzene13dicarboxylate
DIMETHYL5(((Z)2CYANO2(4(3OXOBENZO(F)CHROMEN2YL)13THIAZOL2YL)ETHENYL)AMINO)BENZENE13DICARBOXYLATE
InChI=1SC29H19N3O6Sc13627(33)17918(28(34)372)1120(1017)311419(1330)263224(153926)23122221643516(21)7825(22)3829(23)35h312141531H12H3b1914
MFCD18169504
N#CC(=CNc1cc(cc(c1)C(=O)OC)C(=O)OC)c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1
ZINC000002200353
ZINC2200353
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