Vitas-M small molecule compound
3-benzyl-6-chloro-4-methyl-2-oxo-8-(piperidinium-1-ylmethyl)-2H-chromen-7-olate
Catalog ID
STL149480
SMILES O=c1oc2c(C[NH+]3CCCCC3)c([O-])c(cc2c(c1Cc1ccccc1)C)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 C23H24ClNO3 MW 397.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClNO3/c1-15-17-13-20(24)21(26)19(14-25-10-6-3-7-11-25)22(17)28-23(27)18(15)12-16-8-4-2-5-9-16/h2,4-5,8-9,13,26H,3,6-7,10-12,14H2,1H3InChIKey
UUCGNINPDICURJ-UHFFFAOYSA-NSynonyms
579444-01-23BENZYL6CHLORO4METHYL2OXO8(PIPERIDIN1IUM1YLMETHYL)CHROMEN7OLATE
3benzyl6chloro4methyl2oxo8(piperidinium1ylmethyl)2Hchromen7olate
3BENZYL6CHLORO7HYDROXY4METHYL8(PIPERIDIN1YLMETHYL)CHROMEN2ONE
579444012
CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)(O))C(NH+)3CCCCC3)CC4=CC=CC=C4
InChI=1SC23H24ClNO3c115171320(24)21(26)19(1425106371125)22(17)2823(27)18(15)12168425916h245891326H367101214H21H3
MFCD04032866
O=c1oc2c(C(NH+)3CCCCC3)c((O))c(cc2c(c1Cc1ccccc1)C)Cl
ZINC000020332586
ZINC20332586
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