Vitas-M small molecule compound

4-{(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}phenyl acetate

Catalog ID
STK803715
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)C)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

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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 C20H13N3O4S MW 391.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N3O4S/c1-13(24)27-18-8-2-14(3-9-18)10-16(11-21)20-22-19(12-28-20)15-4-6-17(7-5-15)23(25)26/h2-10,12H,1H3/b16-10+
InChIKey
JHWQTXISCUEKJB-MHWRWJLKSA-N
Synonyms
333414-29-2
(4((E)2CYANO2(4(4NITROPHENYL)13THIAZOL2YL)ETHENYL)PHENYL)ACETATE
(E)4(2cyano2(4(4nitrophenyl)thiazol2yl)vinyl)phenylacetate
333414292
4((E)2cyano2(4(4nitrophenyl)13thiazol2yl)ethenyl)phenylacetate
4(2CYANO2(4(4NITROPHENYL)13THIAZOL2YL)VINYL)PHENYLACETATE
ACETICACID4(2CYANO2(4(4NITROPHENYL)THIAZOL2YL)VINYL)PHENYLESTER
CC(=O)OC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H13N3O4Sc113(24)27188214(3918)1016(1121)202219(122820)154617(7515)23(25)26h21012H1H3b1610+
MFCD02734181
N#CC(=Cc1ccc(cc1)OC(=O)C)c1scc(n1)c1ccc(cc1)(N+)(=O)(O)
ZINC000004310047
ZINC04310047
ZINC4310047

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Available files

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