Vitas-M small molecule compound
N-{[(2,2-dimethyl-6-oxo-3,4,6,7,8,9-hexahydro-2H-cyclopenta[c]pyrano[2,3-h]chromen-10-yl)oxy]acetyl}-L-phenylalanine
Catalog ID
STL534001
SMILES O=C(N[C@H](C(=O)O)Cc1ccccc1)COc1cc2OC(C)(C)CCc2c2c1c1CCCc1c(=O)o2
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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 C28H29NO7 MW 491.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO7/c1-28(2)12-11-19-21(36-28)14-22(24-17-9-6-10-18(17)27(33)35-25(19)24)34-15-23(30)29-20(26(31)32)13-16-7-4-3-5-8-16/h3-5,7-8,14,20H,6,9-13,15H2,1-2H3,(H,29,30)(H,31,32)/t20-/m0/s1InChIKey
MDMPBTBVDNWSRE-FQEVSTJZSA-NSynonyms
957024-93-0(2~(S))2((2((55dimethyl16oxo617dioxatetracyclo(8700^(27)0^(1115))heptadeca17911(15)tetraen9yl)oxy)acetyl)amino)3phenylpropanoicacid
(S)2(2((22dimethyl6oxo346789hexahydro2Hcyclopenta(c)pyrano(23h)chromen10yl)oxy)acetamido)3phenylpropanoicacid
16406711
957024930
InChI=1SC28H29NO7c128(2)12111921(3628)1422(2417961018(17)27(33)3525(19)24)341523(30)2920(26(31)32)13167435816h35781420H691315H212H3(H2930)(H3132)t20m0s1
N(((22dimethyl6oxo346789hexahydro2Hcyclopenta(c)pyrano(23h)chromen10yl)oxy)acetyl)Lphenylalanine
O=C(N(C@H)(C(=O)O)Cc1ccccc1)COc1cc2OC(C)(C)CCc2c2c1c1CCCc1c(=O)o2
ZINC000008877088
ZINC8877088
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