Vitas-M small molecule compound
6-chloro-3-hexyl-4-methyl-2-oxo-8-(pyrrolidinium-1-ylmethyl)-2H-chromen-7-olate
Catalog ID
STL043967
SMILES CCCCCCc1c(=O)oc2c(c1C)cc(c(c2C[NH+]1CCCC1)[O-])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 C21H28ClNO3 MW 377.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28ClNO3/c1-3-4-5-6-9-15-14(2)16-12-18(22)19(24)17(20(16)26-21(15)25)13-23-10-7-8-11-23/h12,24H,3-11,13H2,1-2H3InChIKey
AHVQIWUONADAMS-UHFFFAOYSA-NSynonyms
575463-57-9575463579
6CHLORO3HEXYL4METHYL2OXO8(PYRROLIDIN1IUM1YLMETHYL)CHROMEN7OLATE
6chloro3hexyl4methyl2oxo8(pyrrolidinium1ylmethyl)2Hchromen7olate
6CHLORO3HEXYL7HYDROXY4METHYL8(PYRROLIDIN1YLMETHYL)CHROMEN2ONE
CCCCCCC1=C(C2=CC(=C(C(=C2OC1=O)C(NH+)3CCCC3)(O))Cl)C
CCCCCCc1c(=O)oc2c(c1C)cc(c(c2C(NH+)1CCCC1)(O))Cl
InChI=1SC21H28ClNO3c1345691514(2)161218(22)19(24)17(20(16)2621(15)25)132310781123h1224H31113H212H3
MFCD04026931
ZINC000020327583
ZINC20327583
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