Vitas-M small molecule compound
4-butyl-6-chloro-2-oxo-8-(pyrrolidinium-1-ylmethyl)-2H-chromen-7-olate
Catalog ID
STL044377
SMILES CCCCc1cc(=O)oc2c1cc(Cl)c(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 C18H22ClNO3 MW 335.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22ClNO3/c1-2-3-6-12-9-16(21)23-18-13(12)10-15(19)17(22)14(18)11-20-7-4-5-8-20/h9-10,22H,2-8,11H2,1H3InChIKey
BVATZHAEXPQYGE-UHFFFAOYSA-NSynonyms
706770-90-34BUTYL6CHLORANYL7OXIDANYL8(PYRROLIDIN1YLMETHYL)CHROMEN2ONE
4BUTYL6CHLORO2OXO8(PYRROLIDIN1IUM1YLMETHYL)CHROMEN7OLATE
4butyl6chloro2oxo8(pyrrolidinium1ylmethyl)2Hchromen7olate
4BUTYL6CHLORO7HYDROXY8(1PYRROLIDINYLMETHYL)1BENZOPYRAN2ONE
4BUTYL6CHLORO7HYDROXY8(1PYRROLIDINYLMETHYL)2HCHROMEN2ONE
4BUTYL6CHLORO7HYDROXY8(PYRROLIDIN1YLMETHYL)CHROMEN2ONE
4BUTYL6CHLORO7HYDROXY8(PYRROLIDINOMETHYL)COUMARIN
706770903
CCCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)(O))C(NH+)3CCCC3
CCCCc1cc(=O)oc2c1cc(Cl)c(c2C(NH+)1CCCC1)(O)
InChI=1SC18H22ClNO3c123612916(21)231813(12)1015(19)17(22)14(18)1120745820h91022H2811H21H3
MFCD04014915
ZINC000020289870
ZINC20289870
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