Vitas-M small molecule compound
6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl 4-[(tert-butoxycarbonyl)amino]butanoate
Catalog ID
STK576344
SMILES O=C(Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl)CCCNC(=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/c1-22(2,3)31-21(28)24-8-4-5-18(26)29-13-10-15(25)19-17(11-13)30-16-9-12(23)6-7-14(16)20(19)27/h6-7,9-11,25H,4-5,8H2,1-3H3,(H,24,28)InChIKey
DUTFTKNXNKWFOZ-UHFFFAOYSA-NSynonyms
898919-21-6(6chloro1hydroxy9oxoxanthen3yl)4((2methylpropan2yl)oxycarbonylamino)butanoate
6chloro1hydroxy9oxo9Hxanthen3yl4((tertbutoxycarbonyl)amino)butanoate
898919216
CC(C)(C)OC(=O)NCCCC(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3)Cl)O
InChI=1SC22H22ClNO7c122(23)3121(28)2484518(26)29131015(25)1917(1113)3016912(23)6714(16)20(19)27h6791125H458H213H3(H2428)
MFCD07638977
ZINC000013577178
ZINC13577178
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