Vitas-M small molecule compound

6-chloro-3,4-dimethyl-2-oxo-8-(pyrrolidinium-1-ylmethyl)-2H-chromen-7-olate

Catalog ID
STL046104
SMILES Clc1cc2c(c(c1[O-])C[NH+]1CCCC1)oc(=O)c(c2C)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 C16H18ClNO3 MW 307.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClNO3/c1-9-10(2)16(20)21-15-11(9)7-13(17)14(19)12(15)8-18-5-3-4-6-18/h7,19H,3-6,8H2,1-2H3
InChIKey
GDPIQKMVQJDGKQ-UHFFFAOYSA-N
Synonyms
579442-31-2
579442312
6CHLORO34DIMETHYL2OXO8(PYRROLIDIN1IUM1YLMETHYL)CHROMEN7OLATE
6chloro34dimethyl2oxo8(pyrrolidinium1ylmethyl)2Hchromen7olate
6CHLORO7HYDROXY34DIMETHYL8(PYRROLIDIN1YLMETHYL)CHROMEN2ONE
CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)(O))C(NH+)3CCCC3)C
Clc1cc2c(c(c1(O))C(NH+)1CCCC1)oc(=O)c(c2C)C
InChI=1SC16H18ClNO3c1910(2)16(20)211511(9)713(17)14(19)12(15)818534618h719H368H212H3
MFCD04032700
ZINC000020332469
ZINC20332469

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Available files

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