Vitas-M small molecule compound

2-(diethylamino)ethyl 4-({(Z)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate

Catalog ID
STL336903
SMILES CCN(CCOC(=O)c1ccc(cc1)N/C=C(\c1scc(n1)c1cccc(c1)[N+](=O)[O-])/C#N)CC

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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 C25H25N5O4S MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O4S/c1-3-29(4-2)12-13-34-25(31)18-8-10-21(11-9-18)27-16-20(15-26)24-28-23(17-35-24)19-6-5-7-22(14-19)30(32)33/h5-11,14,16-17,27H,3-4,12-13H2,1-2H3/b20-16-
InChIKey
GSNSZNCQKWAQEO-SILNSSARSA-N
Synonyms
796878-31-4
(Z)2(diethylamino)ethyl4((2cyano2(4(3nitrophenyl)thiazol2yl)vinyl)amino)benzoate
2(diethylamino)ethyl4(((Z)2cyano2(4(3nitrophenyl)13thiazol2yl)ethenyl)amino)benzoate
2DIETHYLAMINOETHYL4(((Z)2CYANO2(4(3NITROPHENYL)13THIAZOL2YL)ETHENYL)AMINO)BENZOATE
796878314
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O)
CCN(CCOC(=O)c1ccc(cc1)NC=C(c1scc(n1)c1cccc(c1)(N+)(=O)(O))C#N)CC
InChI=1SC25H25N5O4Sc1329(42)12133425(31)1881021(11918)271620(1526)242823(173524)1965722(1419)30(32)33h51114161727H341213H212H3b2016
MFCD03669555
ZINC000002200468
ZINC2200468

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Available files

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