Vitas-M small molecule compound
6-chloro-2-oxo-4-phenyl-8-{[(tetrahydrofuran-2-ylmethyl)ammonio]methyl}-2H-chromen-7-olate
Catalog ID
STK630029
SMILES O=c1oc2c(C[NH2+]CC3CCCO3)c([O-])c(cc2c(c1)c1ccccc1)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 C21H20ClNO4 MW 385.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClNO4/c22-18-9-16-15(13-5-2-1-3-6-13)10-19(24)27-21(16)17(20(18)25)12-23-11-14-7-4-8-26-14/h1-3,5-6,9-10,14,23,25H,4,7-8,11-12H2InChIKey
PZJQTHHXYKTVFT-UHFFFAOYSA-NSynonyms
6chloro2oxo4phenyl8(((tetrahydrofuran2ylmethyl)ammonio)methyl)2Hchromen7olate
6chloro2oxo8((oxolan2ylmethylazaniumyl)methyl)4phenylchromen7olate
C1CC(OC1)C(NH2+)CC2=C3C(=CC(=C2(O))Cl)C(=CC(=O)O3)C4=CC=CC=C4
InChI=1SC21H20ClNO4c221891615(135213613)1019(24)2721(16)17(20(18)25)122311147482614h1356910142325H4781112H2
MFCD09844924
O=c1oc2c(C(NH2+)CC3CCCO3)c((O))c(cc2c(c1)c1ccccc1)Cl
ZINC000020646706
ZINC000020646709
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