Vitas-M small molecule compound
(4S,6E)-3-hydroxy-1,7-dimethyl-4-(propan-2-yl)-11-oxabicyclo[8.1.0]undec-6-en-5-yl 3,4,5-trimethoxybenzoate
Catalog ID
STK000502
SMILES COc1cc(cc(c1OC)OC)C(=O)OC1C=C(C)CCC2C(CC([C@@H]1C(C)C)O)(C)O2
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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 C25H36O7 MW 448.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36O7/c1-14(2)22-17(26)13-25(4)21(32-25)9-8-15(3)10-18(22)31-24(27)16-11-19(28-5)23(30-7)20(12-16)29-6/h10-12,14,17-18,21-22,26H,8-9,13H2,1-7H3/b15-10+/t17?,18?,21?,22-,25?/m0/s1InChIKey
PIQUYFLQHCNSEL-CSBRNSJHSA-NSynonyms
((4E7S)8hydroxy410dimethyl7propan2yl11oxabicyclo(810)undec4en6yl)345trimethoxybenzoate
(4S6E)3HYDROXY17DIMETHYL4(PROPAN2YL)11OXABICYCLO(810)UNDEC6EN5YL345TRIMETHOXYBENZOATE
CC1=CC(C(C(CC2(C(O2)CC1)C)O)C(C)C)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC
COc1cc(cc(c1OC)OC)C(=O)OC1C=C(C)CCC2C(CC((C@@H)1C(C)C)O)(C)O2
InChI=1SC25H36O7c114(2)2217(26)1325(4)21(3225)9815(3)1018(22)3124(27)161119(285)23(307)20(1216)296h1012141718212226H8913H217H3b1510+t17?18?21?2225?m0s1
MFCD13368264
STK000502
ZINC000012285055
ZINC000103137853
ZINC000254485296
ZINC000254485299
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