Vitas-M small molecule compound
ethyl 4-({(E)-2-cyano-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK878505
SMILES CCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[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 C24H16N4O6S MW 488.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N4O6S/c1-2-33-23(29)14-3-5-17(6-4-14)26-12-16(11-25)22-27-20(13-35-22)19-10-15-9-18(28(31)32)7-8-21(15)34-24(19)30/h3-10,12-13,26H,2H2,1H3/b16-12+InChIKey
RHOGACKSMNYABG-FOWTUZBSSA-NSynonyms
418802-24-1418802241
CCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
CCOC(=O)c1ccc(cc1)NC=C(c1scc(n1)c1cc2cc(ccc2oc1=O)(N+)(=O)(O))C#N
ethyl4(((E)2cyano2(4(6nitro2oxo2Hchromen3yl)13thiazol2yl)ethenyl)amino)benzoate
ETHYL4(((E)2CYANO2(4(6NITRO2OXOCHROMEN3YL)13THIAZOL2YL)ETHENYL)AMINO)BENZOATE
InChI=1SC24H16N4O6Sc123323(29)143517(6414)261216(1125)222720(133522)191015918(28(31)32)7821(15)3424(19)30h310121326H2H21H3b1612+
MFCD01654370
ZINC000013611342
ZINC13611342
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