Vitas-M small molecule compound
(2E)-2-(1,3-benzodioxol-5-yl)-3-[3-chloro-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]prop-2-enenitrile
Catalog ID
STK293057
SMILES C#CCOc1c(Cl)cc(cc1OCC)/C=C(\c1ccc2c(c1)OCO2)/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 C21H16ClNO4 MW 381.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClNO4/c1-3-7-25-21-17(22)9-14(10-20(21)24-4-2)8-16(12-23)15-5-6-18-19(11-15)27-13-26-18/h1,5-6,8-11H,4,7,13H2,2H3/b16-8-InChIKey
ACWPFAHRGGFQGG-PXNMLYILSA-NSynonyms
(2E)2(13BENZODIOXOL5YL)3(3CHLORO5ETHOXY4(PROP2YN1YLOXY)PHENYL)PROP2ENENITRILE
(E)2(13BENZODIOXOL5YL)3(3CHLORO5ETHOXY4PROP2YNOXYPHENYL)PROP2ENENITRILE
C#CCOc1c(Cl)cc(cc1OCC)C=C(c1ccc2c(c1)OCO2)C#N
CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC3=C(C=C2)OCO3)Cl)OCC#C
InChI=1SC21H16ClNO4c137252117(22)914(1020(21)2442)816(1223)15561819(1115)27132618h156811H4713H22H3b168
MFCD05824505
ZINC000016362092
ZINC16362092
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