Vitas-M small molecule compound

(2E)-3-(1,3-benzodioxol-5-ylamino)-1-(4-methoxyphenyl)but-2-en-1-one

Catalog ID
STK064484
SMILES COc1ccc(cc1)C(=O)/C=C(/Nc1ccc2c(c1)OCO2)\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 C18H17NO4 MW 311.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO4/c1-12(9-16(20)13-3-6-15(21-2)7-4-13)19-14-5-8-17-18(10-14)23-11-22-17/h3-10,19H,11H2,1-2H3/b12-9+
InChIKey
PXGIFHBWESHBNQ-FMIVXFBMSA-N
Synonyms

(2E)3(13BENZODIOXOL5YLAMINO)1(4METHOXYPHENYL)BUT2EN1ONE
(E)3(13BENZODIOXOL5YLAMINO)1(4METHOXYPHENYL)BUT2EN1ONE
3(13BENZODIOXOL5YLAMINO)1(4METHOXYPHENYL)2BUTEN1ONE
CC(=CC(=O)C1=CC=C(C=C1)OC)NC2=CC3=C(C=C2)OCO3
COc1ccc(cc1)C(=O)C=C(Nc1ccc2c(c1)OCO2)C
InChI=1SC18H17NO4c112(916(20)133615(212)7413)1914581718(1014)23112217h31019H11H212H3b129+
MFCD03716875
STK064484
ZINC000101268339
ZINC08672656
ZINC101268339

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Available files

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