Vitas-M small molecule compound

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl N-(tert-butoxycarbonyl)-L-valinate

Catalog ID
STL032920
SMILES O=C(OC(C)(C)C)N[C@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCO2)C(F)(F)F)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 C28H28F3NO8 MW 563.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28F3NO8/c1-14(2)22(32-26(35)40-27(3,4)5)25(34)38-16-7-8-17-19(13-16)39-24(28(29,30)31)21(23(17)33)15-6-9-18-20(12-15)37-11-10-36-18/h6-9,12-14,22H,10-11H2,1-5H3,(H,32,35)/t22-/m0/s1
InChIKey
IWJUQBXOXMFUEC-QFIPXVFZSA-N
Synonyms

(3(23DIHYDRO14BENZODIOXIN6YL)4OXO2(TRIFLUOROMETHYL)CHROMEN7YL)(2S)3METHYL2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)BUTANOATE
3(23dihydro14benzodioxin6yl)4oxo2(trifluoromethyl)4Hchromen7ylN(tertbutoxycarbonyl)Lvalinate
3(23dihydrobenzo(b)(14)dioxin6yl)4oxo2(trifluoromethyl)4Hchromen7yl2((tertbutoxycarbonyl)amino)3methylbutanoate
CC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=C(C=C3)OCCO4)NC(=O)OC(C)(C)C
InChI=1SC28H28F3NO8c114(2)22(3226(35)4027(34)5)25(34)3816781719(1316)3924(28(2930)31)21(23(17)33)15691820(1215)3711103618h69121422H1011H215H3(H3235)t22m0s1
MFCD18247296
O=C(OC(C)(C)C)N(C@H)(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCO2)C(F)(F)F)C(C)C
O=C(OC(C)(C)C)NC(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCO2)C(F)(F)F)C(C)C
ZINC000001898514
ZINC01898514
ZINC1898514

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Available files

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