Vitas-M small molecule compound
(2Z)-3-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxyphenyl}-2-(4-nitrophenyl)prop-2-enenitrile
Catalog ID
STK017923
SMILES CCOc1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)/C=C(/c1ccc(cc1)[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 C29H30N2O5 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O5/c1-5-34-28-19-21(18-23(20-30)22-7-11-25(12-8-22)31(32)33)6-15-27(28)36-17-16-35-26-13-9-24(10-14-26)29(2,3)4/h6-15,18-19H,5,16-17H2,1-4H3/b23-18+InChIKey
DOYNLSMJBLCOLN-PTGBLXJZSA-NSynonyms
(2Z)3(4(2(4TERTBUTYLPHENOXY)ETHOXY)3ETHOXYPHENYL)2(4NITROPHENYL)PROP2ENENITRILE
(Z)3(4(2(4TERTBUTYLPHENOXY)ETHOXY)3ETHOXYPHENYL)2(4NITROPHENYL)PROP2ENENITRILE
CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC=C(C=C2)(N+)(=O)(O))OCCOC3=CC=C(C=C3)C(C)(C)C
CCOc1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)C=C(c1ccc(cc1)(N+)(=O)(O))C#N
InChI=1SC29H30N2O5c1534281921(1823(2030)2271125(12822)31(32)33)61527(28)361716352613924(101426)29(23)4h6151819H51617H214H3b2318+
MFCD02207024
STK017923
ZINC000008985024
ZINC08985024
ZINC8985024
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