Vitas-M small molecule compound

4-[(E)-(5-chloro-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]-2-ethoxyphenyl 4-methylbenzoate

Catalog ID
STK516051
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)C)/C=C\1/Oc2c(C1=O)cc(cc2)Cl

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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 C25H19ClO5 MW 434.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClO5/c1-3-29-22-12-16(13-23-24(27)19-14-18(26)9-11-20(19)30-23)6-10-21(22)31-25(28)17-7-4-15(2)5-8-17/h4-14H,3H2,1-2H3/b23-13+
InChIKey
MIGDXTJBNUGXQI-YDZHTSKRSA-N
Synonyms

(4((E)(5chloro3oxo1benzofuran2ylidene)methyl)2ethoxyphenyl)4methylbenzoate
4((E)(5chloro3oxo1benzofuran2(3H)ylidene)methyl)2ethoxyphenyl4methylbenzoate
CCOC1=C(C=CC(=C1)C=C2C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4=CC=C(C=C4)C
CCOc1cc(ccc1OC(=O)c1ccc(cc1)C)C=C1Oc2c(C1=O)cc(cc2)Cl
InChI=1SC25H19ClO5c1329221216(132324(27)191418(26)91120(19)3023)61021(22)3125(28)177415(2)5817h414H3H212H3b2313+
MFCD06645498
ZINC000016742201
ZINC16742201

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Available files

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