Vitas-M small molecule compound

ethyl 2-({(Z)-2-cyano-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STK803986
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2cc3cc(ccc3oc2=O)[N+](=O)[O-])/C#N)sc(c1C)C

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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 C24H18N4O6S2 MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O6S2/c1-4-33-24(30)20-12(2)13(3)36-22(20)26-10-15(9-25)21-27-18(11-35-21)17-8-14-7-16(28(31)32)5-6-19(14)34-23(17)29/h5-8,10-11,26H,4H2,1-3H3/b15-10-
InChIKey
BQVPYBMGOHFURJ-GDNBJRDFSA-N
Synonyms
714233-76-8
(Z)ethyl2((2cyano2(4(6nitro2oxo2Hchromen3yl)thiazol2yl)vinyl)amino)45dimethylthiophene3carboxylate
714233768
CCOC(=O)C1=C(SC(=C1C)C)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
CCOC(=O)c1c(NC=C(c2scc(n2)c2cc3cc(ccc3oc2=O)(N+)(=O)(O))C#N)sc(c1C)C
ethyl2(((Z)2cyano2(4(6nitro2oxo2Hchromen3yl)13thiazol2yl)ethenyl)amino)45dimethylthiophene3carboxylate
ETHYL2(((Z)2CYANO2(4(6NITRO2OXOCHROMEN3YL)13THIAZOL2YL)ETHENYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC24H18N4O6S2c143324(30)2012(2)13(3)3622(20)261015(925)212718(113521)17814716(28(31)32)5619(14)3423(17)29h58101126H4H213H3b1510
MFCD04013367
ZINC000001826060
ZINC01826060
ZINC1826060

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.