Vitas-M small molecule compound
methyl [(8aS)-2,5,5,8a-tetramethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]acetate
Catalog ID
STK753368
SMILES COC(=O)CC1=C(C)C(=O)CC2[C@]1(C)CCCC2(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 C17H26O3 MW 278.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H26O3/c1-11-12(9-15(19)20-5)17(4)8-6-7-16(2,3)14(17)10-13(11)18/h14H,6-10H2,1-5H3/t14?,17-/m1/s1InChIKey
YTAQULCZDXWXPY-FBMWCMRBSA-NSynonyms
CC1=C(C2(CCCC(C2CC1=O)(C)C)C)CC(=O)OC
COC(=O)CC1=C(C)C(=O)CC2(C@)1(C)CCCC2(C)C
InChI=1SC17H26O3c11112(915(19)205)17(4)86716(23)14(17)1013(11)18h14H610H215H3t14?17m1s1
methyl((8aS)2558atetramethyl3oxo344a56788aoctahydronaphthalen1yl)acetate
methyl2((8aS)2558atetramethyl3oxo4a678tetrahydro4Hnaphthalen1yl)acetate
MFCD13372033
ZINC000000034192
ZINC000000034193
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