Vitas-M small molecule compound

3-(4-chlorophenyl)-4-oxo-8-(pyrrolidinium-1-ylmethyl)-4H-chromen-7-olate

Catalog ID
STK567320
SMILES Clc1ccc(cc1)c1coc2c(c1=O)ccc(c2C[NH+]1CCCC1)[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 C20H18ClNO3 MW 355.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClNO3/c21-14-5-3-13(4-6-14)17-12-25-20-15(19(17)24)7-8-18(23)16(20)11-22-9-1-2-10-22/h3-8,12,23H,1-2,9-11H2
InChIKey
RARKRPZJIJNXND-UHFFFAOYSA-N
Synonyms
448238-29-7
3(4CHLOROPHENYL)4OXO8(PYRROLIDIN1IUM1YLMETHYL)CHROMEN7OLATE
3(4chlorophenyl)4oxo8(pyrrolidinium1ylmethyl)4Hchromen7olate
3(4CHLOROPHENYL)7HYDROXY8(PYRROLIDIN1YLMETHYL)CHROMEN4ONE
448238297
C1CCN(C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)O
Clc1ccc(cc1)c1coc2c(c1=O)ccc(c2C(NH+)1CCCC1)(O)
InChI=1SC20H18ClNO3c21145313(4614)1712252015(19(17)24)7818(23)16(20)11229121022h381223H12911H2
MFCD01573774
ZINC000020394800
ZINC20394800

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Available files

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