Vitas-M small molecule compound

3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N,O-bis(tert-butoxycarbonyl)-L-tyrosinate

Catalog ID
STL464745
SMILES O=C(OC(C)(C)C)N[C@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)F)C)Cc1ccc(cc1)OC(=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 C35H36FNO9 MW 633.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36FNO9/c1-20-29(22-10-12-23(36)13-11-22)30(38)26-17-16-25(19-28(26)42-20)43-31(39)27(37-32(40)45-34(2,3)4)18-21-8-14-24(15-9-21)44-33(41)46-35(5,6)7/h8-17,19,27H,18H2,1-7H3,(H,37,40)/t27-/m0/s1
InChIKey
MEOUIPAPUJSUGM-MHZLTWQESA-N
Synonyms

(3(4fluorophenyl)2methyl4oxochromen7yl)(2S)2((2methylpropan2yl)oxycarbonylamino)3(4((2methylpropan2yl)oxycarbonyloxy)phenyl)propanoate
(R)3(4fluorophenyl)2methyl4oxo4Hchromen7yl2((tertbutoxycarbonyl)amino)3(4((tertbutoxycarbonyl)oxy)phenyl)propanoate
3(4fluorophenyl)2methyl4oxo4Hchromen7ylNObis(tertbutoxycarbonyl)Ltyrosinate
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC3=CC=C(C=C3)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C4=CC=C(C=C4)F
InChI=1SC35H36FNO9c12029(22101223(36)131122)30(38)26171625(1928(26)4220)4331(39)27(3732(40)4534(23)4)182181424(15921)4433(41)4635(56)7h8171927H18H217H3(H3740)t27m0s1
MFCD01081528
O=C(OC(C)(C)C)N(C@@H)(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)F)C)Cc1ccc(cc1)OC(=O)OC(C)(C)C
O=C(OC(C)(C)C)N(C@H)(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)F)C)Cc1ccc(cc1)OC(=O)OC(C)(C)C
ZINC000102495532
ZINC102495532

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Available files

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