Vitas-M small molecule compound
6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl 2-[(tert-butoxycarbonyl)amino]butanoate
Catalog ID
STK572563
SMILES CCC(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl)NC(=O)OC(C)(C)C
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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 C22H22ClNO7 MW 447.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO7/c1-5-14(24-21(28)31-22(2,3)4)20(27)29-12-9-15(25)18-17(10-12)30-16-8-11(23)6-7-13(16)19(18)26/h6-10,14,25H,5H2,1-4H3,(H,24,28)InChIKey
MWWHFURRFKMQSL-UHFFFAOYSA-NSynonyms
1050234-95-1(6chloro1hydroxy9oxoxanthen3yl)2((2methylpropan2yl)oxycarbonylamino)butanoate
1050234951
6chloro1hydroxy9oxo9Hxanthen3yl2((tertbutoxycarbonyl)amino)butanoate
CCC(C(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3)Cl)O)NC(=O)OC(C)(C)C
InChI=1SC22H22ClNO7c1514(2421(28)3122(23)4)20(27)2912915(25)1817(1012)3016811(23)6713(16)19(18)26h6101425H5H214H3(H2428)
MFCD07639126
ZINC000009128719
ZINC000009128721
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