Vitas-M small molecule compound
(R)-((2R,3S,4S,5R,6S)-6-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 2-((tert-butoxycarbonyl)amino)propanoate
Catalog ID
STL525257
SMILES O=C(OC(C)(C)C)N[C@@H](C(=O)OCC1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc3c(c2)OCCO3)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 C31H35NO13 MW 629.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO13/c1-15(32-30(38)45-31(2,3)4)28(37)42-14-23-25(34)26(35)27(36)29(44-23)43-17-6-7-18-21(12-17)41-13-19(24(18)33)16-5-8-20-22(11-16)40-10-9-39-20/h5-8,11-13,15,23,25-27,29,34-36H,9-10,14H2,1-4H3,(H,32,38)/t15-,23?,25-,26?,27?,29-/m1/s1InChIKey
IQPQUCSPCDSVLE-WYPSIKCXSA-NSynonyms
((3~(S)6~(S))6(3(23dihydro14benzodioxin6yl)4oxochromen7yl)oxy345trihydroxyoxan2yl)methyl(2~(R))2((2methylpropan2yl)oxycarbonylamino)propanoate
(R)((2R3S4S5R6S)6((3(23dihydrobenzo(b)(14)dioxin6yl)4oxo4Hchromen7yl)oxy)345trihydroxytetrahydro2Hpyran2yl)methyl2((tertbutoxycarbonyl)amino)propanoate
25088386
InChI=1SC31H35NO13c115(3230(38)4531(23)4)28(37)42142325(34)26(35)27(36)29(4423)4317671821(1217)411319(24(18)33)16582022(1116)401093920h58111315232527293436H91014H214H3(H3238)t1523?2526?27?29m1s1
MFCD32649795
O=C(OC(C)(C)C)N(C@@H)(C(=O)OCC1O(C@@H)(Oc2ccc3c(c2)occ(c3=O)c2ccc3c(c2)OCCO3)C(C((C@@H)1O)O)O)C
ZINC000070665508
ZINC000229917371
Check stock
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Check stock on Vitas-MAvailable files
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