Vitas-M small molecule compound
3-{(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethenyl}furan-2(5H)-one
Catalog ID
STK802121
SMILES OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2/C=C/C1=CCOC1=O)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 C20H28O4 MW 332.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,17-,19+,20+/m1/s1InChIKey
XMJAJFVLHDIEHF-CRBRZBHVSA-NSynonyms
42895-58-92(5H)FURANONE3((1E)2((1R4AS5R6R8AR)DECAHYDRO6HYDROXY5(HYDROXYMETHYL)58ADIMETHYL2METHYLENE1NAPHTHALENYL)ETHENYL)
3((E)2((1R4AS5R6R8AR)6HYDROXY5(HYDROXYMETHYL)58ADIMETHYL2METHYLENEDECAHYDRO1NAPHTHALENYL)VINYL)2(5H)FURANONE
3((E)2((1R4aS5R6R8aR)6hydroxy5(hydroxymethyl)58adimethyl2methylidenedecahydronaphthalen1yl)ethenyl)furan2(5H)one
4((E)2((1R4AS5R6R8AR)6HYDROXY5(HYDROXYMETHYL)58ADIMETHYL2METHYLIDENE344A678HEXAHYDRO1HNAPHTHALEN1YL)ETHENYL)2HFURAN5ONE
42895589
CC12CCC(C(C1CCC(=C)C2C=CC3=CCOC3=O)(C)CO)O
InChI=1SC20H28O4c113471619(210817(22)20(163)1221)15(13)65149112418(14)23h56915172122H14781012H223H3b65+t1516+1719+20+m1s1
MFCD07778081
OC(C@)1(C)(C@H)(O)CC(C@@)2((C@@H)1CCC(=C)(C@H)2C=CC1=CCOC1=O)C
ZINC000003882527
ZINC03882527
ZINC3882527
Check stock
See real-time availability and sample size for STK802121 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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