Vitas-M small molecule compound

(2Z)-3-[3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Catalog ID
STK551104
SMILES N#C/C(=C/c1ccc(c(c1)OC)OCC(=O)c1ccccc1)/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 C27H19N3O5S MW 497.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O5S/c1-34-26-13-18(10-11-25(26)35-16-24(31)19-6-3-2-4-7-19)12-21(15-28)27-29-23(17-36-27)20-8-5-9-22(14-20)30(32)33/h2-14,17H,16H2,1H3/b21-12-
InChIKey
LZHBTYVTQUNRDT-MTJSOVHGSA-N
Synonyms
333414-59-8
(2Z)3(3methoxy4(2oxo2phenylethoxy)phenyl)2(4(3nitrophenyl)13thiazol2yl)prop2enenitrile
(Z)3(3methoxy4(2oxo2phenylethoxy)phenyl)2(4(3nitrophenyl)thiazol2yl)acrylonitrile
(Z)3(3METHOXY4PHENACYLOXYPHENYL)2(4(3NITROPHENYL)13THIAZOL2YL)PROP2ENENITRILE
2(4(3NITROPHENYL)13THIAZOL2YL)3(3METHOXY4(2OXO2PHENYLETHOXY)PHENYL)ACRYLONITRILE
333414598
COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O))OCC(=O)C4=CC=CC=C4
InChI=1SC27H19N3O5Sc134261318(101125(26)351624(31)196324719)1221(1528)272923(173627)2085922(1420)30(32)33h21417H16H21H3b2112
MFCD02734196
N#CC(=Cc1ccc(c(c1)OC)OCC(=O)c1ccccc1)c1scc(n1)c1cccc(c1)(N+)(=O)(O)
ZINC000006906919
ZINC06906919
ZINC6906919

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Available files

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