Vitas-M small molecule compound

2-[(2S)-8,9-dimethoxy-6-oxo-1,2,6,6a,12,12a-hexahydrochromeno[3,4-b]furo[2,3-h]chromen-2-yl]prop-2-en-1-yl 6-O-alpha-L-arabinopyranosyl-alpha-L-idopyranoside

Catalog ID
STK071841
SMILES COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)CO[C@@H]1O[C@@H](CO[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)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 C34H40O16 MW 704.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19-,23?,24-,2
InChIKey
CMQOKNQYLSMKJC-ZIYIFGDVSA-N
Synonyms

2((2S)89dimethoxy6oxo1266a1212ahexahydrochromeno(34b)furo(23h)chromen2yl)prop2en1yl6OalphaLarabinopyranosylalphaLidopyranoside
COC1=C(C=C2C(=C1)C3C(CO2)OC4=C(C3=O)C=CC5=C4CC(O5)C(=C)COC6C(C(C(C(O6)COC7C(C(C(CO7)O)O)O)O)O)O)OC
COc1cc2c(cc1OC)OC(C@@H)1(C@H)2C(=O)c2c(O1)c1C(C@@H)(Oc1cc2)C(=C)CO(C@@H)1O(C@@H)(CO(C@@H)2OC(C@@H)((C@@H)((C@H)2O)O)O)(C@H)((C@@H)((C@H)1O)O)O
COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1C(C@H)(Oc1cc2)C(=C)CO(C@@H)1O(C@@H)(CO(C@@H)2OC(C@@H)((C@@H)((C@H)2O)O)O)(C@H)((C@@H)((C@H)1O)O)O
InChI=1SC34H40O16c113(9453431(41)29(39)28(38)24(5034)12473330(40)27(37)17(35)104633)1971618(4819)541426(36)2515621(422)22(433)820(15)441123(25)4932(14)16h46817192325273133353741H17912H223H3t171923?2425?2728+2930+31+3334+m0s1
MFCD13368374
STK071841
ZINC000097960077
ZINC000097960080

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Available files

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