Vitas-M small molecule compound
(R)-(3aR,5R,6S,6aR)-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate
Catalog ID
STL526463
SMILES O=C(N[C@@H](C(=O)OC1C2OC(OC2O[C@@H]1[C@@H]1COC(O1)(C)C)(C)C)Cc1ccccc1)OCc1ccccc1
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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 C29H35NO9 MW 541.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35NO9/c1-28(2)34-17-21(37-28)22-23(24-26(36-22)39-29(3,4)38-24)35-25(31)20(15-18-11-7-5-8-12-18)30-27(32)33-16-19-13-9-6-10-14-19/h5-14,20-24,26H,15-17H2,1-4H3,(H,30,32)/t20-,21?,22-,23?,24?,26?/m1/s1InChIKey
MIJMDMUBCDQQSU-FRHKAFMXSA-NSynonyms
(R)(3aR5R6S6aR)5((R)22dimethyl13dioxolan4yl)22dimethyltetrahydrofuro(23d)(13)dioxol6yl2(((benzyloxy)carbonyl)amino)3phenylpropanoate
InChI=1SC29H35NO9c128(2)341721(3728)2223(2426(3622)3929(34)3824)3525(31)20(1518117581218)3027(32)3316191396101419h514202426H1517H214H3(H3032)t2021?2223?24?26?m1s1
O=C(N(C@@H)(C(=O)OC1C2OC(OC2O(C@@H)1(C@@H)1COC(O1)(C)C)(C)C)Cc1ccccc1)OCc1ccccc1
ZINC000070665458
ZINC000070665468
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