Vitas-M small molecule compound
hexyl 2-({(E)-2-cyano-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK535880
SMILES CCCCCCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1cc2ccccc2oc1=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 C28H25N3O4S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4S/c1-2-3-4-9-14-34-27(32)21-11-6-7-12-23(21)30-17-20(16-29)26-31-24(18-36-26)22-15-19-10-5-8-13-25(19)35-28(22)33/h5-8,10-13,15,17-18,30H,2-4,9,14H2,1H3/b20-17+InChIKey
JCQXVPLZYCLGHU-LVZFUZTISA-NSynonyms
(E)hexyl2((2cyano2(4(2oxo2Hchromen3yl)thiazol2yl)vinyl)amino)benzoate
CCCCCCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O
CCCCCCOC(=O)c1ccccc1NC=C(c1scc(n1)c1cc2ccccc2oc1=O)C#N
hexyl2(((E)2cyano2(4(2oxo2Hchromen3yl)13thiazol2yl)ethenyl)amino)benzoate
HEXYL2(((E)2CYANO2(4(2OXOCHROMEN3YL)13THIAZOL2YL)ETHENYL)AMINO)BENZOATE
InChI=1SC28H25N3O4Sc12349143427(32)2111671223(21)301720(1629)263124(183626)22151910581325(19)3528(22)33h58101315171830H24914H21H3b2017+
MFCD02984932
ZINC000009065492
ZINC09065492
ZINC9065492
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