Vitas-M small molecule compound
7-{[4-(carbamoyloxy)-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3-({[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]carbonyl}amino)-8-methyl-2-oxo-2H-chromen-4-olate (non-preferred name)
Catalog ID
STK384951
SMILES COC1C(OC(=O)N)C(O)C(OC1(C)C)Oc1ccc2c(c1C)oc(=O)c(c2[O-])NC(=O)c1ccc(c(c1)CC=C(C)C)O
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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 C31H35N2O11 MW 611.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/p-1InChIKey
YJQPYGGHQPGBLI-UHFFFAOYSA-MSynonyms
7((4(carbamoyloxy)3hydroxy5methoxy66dimethyltetrahydro2Hpyran2yl)oxy)3(((4hydroxy3(3methylbut2en1yl)phenyl)carbonyl)amino)8methyl2oxo2Hchromen4olate(nonpreferredname)
CO(C@@H)1(C@@H)(OC(=O)N)(C@@H)(O)(C@@H)(OC1(C)C)Oc1ccc2c(c1C)oc(=O)c(c2(O))NC(=O)c1ccc(c(c1)CC=C(C)C)O(Na+)
COC1C(OC(=O)N)C(O)C(OC1(C)C)Oc1ccc2c(c1C)oc(=O)c(c2(O))NC(=O)c1ccc(c(c1)CC=C(C)C)O
MFCD00599549
sodium7(((2R3R4S5R)4(carbamoyloxy)3hydroxy5methoxy66dimethyltetrahydro2Hpyran2yl)oxy)3(4hydroxy3(3methylbut2en1yl)benzamido)8methyl2oxo2Hchromen4olate
ZINC000004245675
ZINC000104996648
Check stock
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Check stock on Vitas-MAvailable files
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