Vitas-M small molecule compound
6-chloro-8-[(cyclohexylammonio)methyl]-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STK626649
SMILES COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2C[NH2+]C1CCCCC1)[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 C20H24ClNO5 MW 393.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24ClNO5/c1-11-13-8-16(21)18(24)15(10-22-12-6-4-3-5-7-12)19(13)27-20(25)14(11)9-17(23)26-2/h8,12,22,24H,3-7,9-10H2,1-2H3InChIKey
NONCHDNZRKZXNH-UHFFFAOYSA-NSynonyms
6chloro8((cyclohexylammonio)methyl)3(2methoxy2oxoethyl)4methyl2oxo2Hchromen7olate
6chloro8((cyclohexylazaniumyl)methyl)3(2methoxy2oxoethyl)4methyl2oxochromen7olate
CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)(O))C(NH2+)C3CCCCC3)CC(=O)OC
COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2C(NH2+)C1CCCCC1)(O))Cl
InChI=1SC20H24ClNO5c11113816(21)18(24)15(1022126435712)19(13)2720(25)14(11)917(23)262h8122224H37910H212H3
MFCD09848512
ZINC000020650204
ZINC20650204
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