Vitas-M small molecule compound
(3S,4S)-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-3,4-diyl (2Z,2'Z)bis(2-methylbut-2-enoate)
Catalog ID
STK001577
SMILES C/C=C(\C(=O)O[C@H]1CC(=C2C(C3C1[C@](C)(OC(=O)/C(=C\C)/C)C(=O)O3)C(=CC2)C)C)/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 C25H32O6 MW 428.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32O6/c1-8-13(3)22(26)29-18-12-16(6)17-11-10-15(5)19(17)21-20(18)25(7,24(28)30-21)31-23(27)14(4)9-2/h8-10,18-21H,11-12H2,1-7H3/b13-8-,14-9-/t18-,19?,20?,21?,25-/m0/s1InChIKey
ABTDHQPULWEKTE-RBPCKOKGSA-NSynonyms
((3S4S)369trimethyl3((Z)2methylbut2enoyl)oxy2oxo3a4579a9bhexahydroazuleno(45b)furan4yl)(Z)2methylbut2enoate
(3S4S)369trimethyl2oxo233a4579a9boctahydroazuleno(45b)furan34diyl(2Z2Z)bis(2methylbut2enoate)
CC=C(C(=O)O(C@H)1CC(=C2C(C3C1(C@)(C)(OC(=O)C(=CC)C)C(=O)O3)C(=CC2)C)C)C
CC=C(C)C(=O)OC1CC(=C2CC=C(C2C3C1C(C(=O)O3)(C)OC(=O)C(=CC)C)C)C
InChI=1SC25H32O6c1813(3)22(26)29181216(6)17111015(5)19(17)2120(18)25(724(28)3021)3123(27)14(4)92h8101821H1112H217H3b138149t1819?20?21?25m0s1
MFCD13368265
STK001577
ZINC000004548022
ZINC000229947453
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