Vitas-M small molecule compound
(R)-((2R,3S,4S,5R,6S)-6-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 2-((tert-butoxycarbonyl)amino)propanoate
Catalog ID
STL565425
SMILES O=C(OC(C)(C)C)N[C@@H](C(=O)OCC1O[C@@H](Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCO3)C(F)(F)F)C(C([C@H]1O)O)O)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 C32H34F3NO13 MW 697.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34F3NO13/c1-14(36-30(42)49-31(2,3)4)28(41)45-13-21-24(38)25(39)26(40)29(48-21)46-16-6-7-17-19(12-16)47-27(32(33,34)35)22(23(17)37)15-5-8-18-20(11-15)44-10-9-43-18/h5-8,11-12,14,21,24-26,29,38-40H,9-10,13H2,1-4H3,(H,36,42)/t14-,21?,24-,25?,26?InChIKey
XDLBSNLAIQNWON-USPXHDEXSA-NSynonyms
((3S6S)6(3(23dihydro14benzodioxin6yl)4oxo2(trifluoromethyl)chromen7yl)oxy345trihydroxyoxan2yl)methyl(2R)2((2methylpropan2yl)oxycarbonylamino)propanoate
(R)((2R3S4S5R6S)6((3(23dihydrobenzo(b)(14)dioxin6yl)4oxo2(trifluoromethyl)4Hchromen7yl)oxy)345trihydroxytetrahydro2Hpyran2yl)methyl2((tertbutoxycarbonyl)amino)propanoate
44662317
InChI=1SC32H34F3NO13c114(3630(42)4931(23)4)28(41)45132124(38)25(39)26(40)29(4821)4616671719(1216)4727(32(3334)35)22(23(17)37)15581820(1115)441094318h58111214212426293840H91013H214H3(H3642)t1421?2425?26?29m1s1
MFCD32651664
O=C(OC(C)(C)C)N(C@@H)(C(=O)OCC1O(C@@H)(Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCO3)C(F)(F)F)C(C((C@@H)1O)O)O)C
ZINC000150426248
ZINC000253488107
Check stock
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Check stock on Vitas-MAvailable files
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