Vitas-M small molecule compound
(2Z)-3-{4-[2-(4-chlorophenyl)-2-oxoethoxy]-3-methoxyphenyl}-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK803670
SMILES COc1cc(ccc1OCC(=O)c1ccc(cc1)Cl)/C=C(\c1scc(n1)c1cccc(c1)[N+](=O)[O-])/C#N
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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 C27H18ClN3O5S MW 531.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClN3O5S/c1-35-26-12-17(5-10-25(26)36-15-24(32)18-6-8-21(28)9-7-18)11-20(14-29)27-30-23(16-37-27)19-3-2-4-22(13-19)31(33)34/h2-13,16H,15H2,1H3/b20-11-InChIKey
HDPTUMDPTWBJPX-JAIQZWGSSA-NSynonyms
477297-07-7(2Z)3(4(2(4chlorophenyl)2oxoethoxy)3methoxyphenyl)2(4(3nitrophenyl)13thiazol2yl)prop2enenitrile
(Z)3(4(2(4chlorophenyl)2oxoethoxy)3methoxyphenyl)2(4(3nitrophenyl)13thiazol2yl)prop2enenitrile
(Z)3(4(2(4chlorophenyl)2oxoethoxy)3methoxyphenyl)2(4(3nitrophenyl)thiazol2yl)acrylonitrile
477297077
COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O))OCC(=O)C4=CC=C(C=C4)Cl
COc1cc(ccc1OCC(=O)c1ccc(cc1)Cl)C=C(c1scc(n1)c1cccc(c1)(N+)(=O)(O))C#N
InChI=1SC27H18ClN3O5Sc135261217(51025(26)361524(32)186821(28)9718)1120(1429)273023(163727)1932422(1319)31(33)34h21316H15H21H3b2011
MFCD03669669
ZINC000100934330
ZINC100934330
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