Vitas-M small molecule compound
(2E)-3-[4-(butan-2-yloxy)-3-chloro-5-methoxyphenyl]-2-(4-nitrophenyl)prop-2-enenitrile
Catalog ID
STK195720
SMILES CCC(Oc1c(Cl)cc(cc1OC)/C=C(\c1ccc(cc1)[N+](=O)[O-])/C#N)C
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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 C20H19ClN2O4 MW 386.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O4/c1-4-13(2)27-20-18(21)10-14(11-19(20)26-3)9-16(12-22)15-5-7-17(8-6-15)23(24)25/h5-11,13H,4H2,1-3H3/b16-9-InChIKey
GCHCMGGFXVDYSZ-SXGWCWSVSA-NSynonyms
(2E)3(4(BUTAN2YLOXY)3CHLORO5METHOXYPHENYL)2(4NITROPHENYL)PROP2ENENITRILE
(E)3(4BUTAN2YLOXY3CHLORO5METHOXYPHENYL)2(4NITROPHENYL)PROP2ENENITRILE
CCC(C)OC1=C(C=C(C=C1Cl)C=C(C#N)C2=CC=C(C=C2)(N+)(=O)(O))OC
CCC(Oc1c(Cl)cc(cc1OC)C=C(c1ccc(cc1)(N+)(=O)(O))C#N)C
InChI=1SC20H19ClN2O4c1413(2)272018(21)1014(1119(20)263)916(1222)155717(8615)23(24)25h51113H4H213H3b169
MFCD04334633
ZINC000012363430
ZINC000012363433
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