Vitas-M small molecule compound

3-(3,4-dimethoxyphenyl)-5,7-dihydroxy-2-methyl-6,8-bis[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one

Catalog ID
STK888816
SMILES COc1cc(ccc1OC)c1c(C)oc2c(c1=O)c(O)c(c(c2CN1CCN(CC1)C)O)CN1CCN(CC1)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 C30H40N4O6 MW 552.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N4O6/c1-19-25(20-6-7-23(38-4)24(16-20)39-5)29(37)26-28(36)21(17-33-12-8-31(2)9-13-33)27(35)22(30(26)40-19)18-34-14-10-32(3)11-15-34/h6-7,16,35-36H,8-15,17-18H2,1-5H3
InChIKey
CXJMCFAYCWXUBP-UHFFFAOYSA-N
Synonyms
618390-38-8
3(34dimethoxyphenyl)2methyl68bis((4methylpiperazin1ium1yl)methyl)4oxochromene57diolate
3(34dimethoxyphenyl)57dihydroxy2methyl68bis((4methylpiperazin1yl)methyl)4Hchromen4one
3(34DIMETHOXYPHENYL)57DIHYDROXY2METHYL68BIS((4METHYLPIPERAZIN1YL)METHYL)CHROMEN4ONE
3(34DIMETHOXYPHENYL)68BIS((4METHYLPIPERAZINYL)METHYL)57DIHYDROXY2METHYLCHROMEN4ONE
618390388
CC1=C(C(=O)C2=C(C(=C(C(=C2O1)C(NH+)3CCN(CC3)C)(O))C(NH+)4CCN(CC4)C)(O))C5=CC(=C(C=C5)OC)OC
InChI=1SC30H40N4O6c11925(206723(384)24(1620)395)29(37)2628(36)21(173312831(2)91333)27(35)22(30(26)4019)1834141032(3)111534h67163536H8151718H215H3
MFCD03853874
ZINC000022854541
ZINC22854541

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Available files

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