Vitas-M small molecule compound
methyl 4-[(Z)-{7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-3-oxo-1-benzofuran-2(3H)-ylidene}methyl]benzoate
Catalog ID
STL033177
SMILES CCN1CCN(CC1)Cc1c(O)ccc2c1O/C(=C\c1ccc(cc1)C(=O)OC)/C2=O
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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 C24H26N2O5 MW 422.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O5/c1-3-25-10-12-26(13-11-25)15-19-20(27)9-8-18-22(28)21(31-23(18)19)14-16-4-6-17(7-5-16)24(29)30-2/h4-9,14,27H,3,10-13,15H2,1-2H3/b21-14-InChIKey
DNWOSIBIBJRVMY-STZFKDTASA-NSynonyms
869078-67-1(2Z)7((4ethylpiperazin1ium1yl)methyl)2((4methoxycarbonylphenyl)methylidene)3oxo1benzofuran6olate
869078671
CCN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)C(=O)OC)C3=O)(O)
CCN1CCN(CC1)Cc1c(O)ccc2c1OC(=Cc1ccc(cc1)C(=O)OC)C2=O
InChI=1SC24H26N2O5c1325101226(131125)151920(27)981822(28)21(3123(18)19)14164617(7516)24(29)302h491427H3101315H212H3b2114
METHYL4((7((4ETHYLPIPERAZINYL)METHYL)6HYDROXY3OXOBENZO(D)FURAN2YLIDENE)METHYL)BENZOATE
methyl4((Z)(7((4ethylpiperazin1yl)methyl)6hydroxy3oxo1benzofuran2(3H)ylidene)methyl)benzoate
METHYL4((Z)(7((4ETHYLPIPERAZIN1YL)METHYL)6HYDROXY3OXO1BENZOFURAN2YLIDENE)METHYL)BENZOATE
MFCD06405831
ZINC000022575538
ZINC22575538
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