Vitas-M small molecule compound
3-[4-(methoxycarbonyl)phenoxy]-2-methyl-4-oxo-8-(pyrrolidinium-1-ylmethyl)-4H-chromen-7-olate
Catalog ID
STK567576
SMILES COC(=O)c1ccc(cc1)Oc1c(C)oc2c(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 C23H23NO6 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO6/c1-14-21(30-16-7-5-15(6-8-16)23(27)28-2)20(26)17-9-10-19(25)18(22(17)29-14)13-24-11-3-4-12-24/h5-10,25H,3-4,11-13H2,1-2H3InChIKey
XUAZQURTRMZSAK-UHFFFAOYSA-NSynonyms
848733-03-93(4(methoxycarbonyl)phenoxy)2methyl4oxo8(pyrrolidinium1ylmethyl)4Hchromen7olate
3(4METHOXYCARBONYLPHENOXY)2METHYL4OXO8(PYRROLIDIN1IUM1YLMETHYL)CHROMEN7OLATE
CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCC3)OC4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2C(NH+)1CCCC1)(O)
InChI=1SC23H23NO6c11421(30167515(6816)23(27)282)20(26)1791019(25)18(22(17)2914)132411341224h51025H341113H212H3
METHYL4(7HYDROXY2METHYL4OXO8(PYRROLIDIN1YLMETHYL)CHROMEN3YL)OXYBENZOATE
METHYL4(7HYDROXY2METHYL4OXO8(PYRROLIDINYLMETHYL)CHROMEN3YLOXY)BENZOATE
MFCD04190286
ZINC000020412349
ZINC20412349
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