Vitas-M small molecule compound
4-{(Z)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}phenyl acetate
Catalog ID
STK803662
SMILES N#C/C(=C/c1ccc(cc1)OC(=O)C)/c1scc(n1)c1cccc(c1)[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)27-18-7-5-14(6-8-18)9-16(11-21)20-22-19(12-28-20)15-3-2-4-17(10-15)23(25)26/h2-10,12H,1H3/b16-9-InChIKey
JZEQDCPTXWJVDB-SXGWCWSVSA-NSynonyms
333414-31-6(4((Z)2CYANO2(4(3NITROPHENYL)13THIAZOL2YL)ETHENYL)PHENYL)ACETATE
(Z)4(2cyano2(4(3nitrophenyl)thiazol2yl)vinyl)phenylacetate
333414316
4((Z)2cyano2(4(3nitrophenyl)13thiazol2yl)ethenyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H13N3O4Sc113(24)27187514(6818)916(1121)202219(122820)1532417(1015)23(25)26h21012H1H3b169
MFCD03669097
N#CC(=Cc1ccc(cc1)OC(=O)C)c1scc(n1)c1cccc(c1)(N+)(=O)(O)
ZINC000013648125
ZINC13648125
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