Vitas-M small molecule compound

4-[(1Z)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 3,4,5-trimethoxybenzoate

Catalog ID
STK588923
SMILES COC(=O)/C(=C\c1ccc(c(c1)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC)/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 C22H21NO8 MW 427.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO8/c1-26-17-9-13(8-15(12-23)21(24)30-5)6-7-16(17)31-22(25)14-10-18(27-2)20(29-4)19(11-14)28-3/h6-11H,1-5H3/b15-8-
InChIKey
UQDISJBLSSFYCK-NVNXTCNLSA-N
Synonyms
469875-71-6
(4((Z)2cyano3methoxy3oxoprop1enyl)2methoxyphenyl)345trimethoxybenzoate
(Z)4(2cyano3methoxy3oxoprop1en1yl)2methoxyphenyl345trimethoxybenzoate
4((1Z)2cyano3methoxy3oxoprop1en1yl)2methoxyphenyl345trimethoxybenzoate
469875716
COC(=O)C(=Cc1ccc(c(c1)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC)C#N
COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)OC)OC
InChI=1SC22H21NO8c12617913(815(1223)21(24)305)6716(17)3122(25)141018(272)20(294)19(1114)283h611H15H3b158
MFCD03301050
ZINC000000951071
ZINC00951071
ZINC951071

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Available files

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