Vitas-M small molecule compound
4-{(E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}-2-methoxyphenyl acetate
Catalog ID
STK803772
SMILES N#C/C(=C\c1ccc(c(c1)OC)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 C21H15N3O5S MW 421.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O5S/c1-13(25)29-19-7-6-14(9-20(19)28-2)8-16(11-22)21-23-18(12-30-21)15-4-3-5-17(10-15)24(26)27/h3-10,12H,1-2H3/b16-8+InChIKey
YHLBDCXGWIFZIR-LZYBPNLTSA-NSynonyms
(4((E)2CYANO2(4(3NITROPHENYL)13THIAZOL2YL)ETHENYL)2METHOXYPHENYL)ACETATE
(Z)4(2cyano2(4(3nitrophenyl)thiazol2yl)vinyl)2methoxyphenylacetate
4((E)2cyano2(4(3nitrophenyl)13thiazol2yl)ethenyl)2methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O))OC
InChI=1SC21H15N3O5Sc113(25)29197614(920(19)282)816(1122)212318(123021)1543517(1015)24(26)27h31012H12H3b168+
MFCD07190130
N#CC(=Cc1ccc(c(c1)OC)OC(=O)C)c1scc(n1)c1cccc(c1)(N+)(=O)(O)
ZINC000016890657
ZINC16890657
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