Vitas-M small molecule compound
(4aS)-3,4-bis(bromomethyl)-4a,8,8-trimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one
Catalog ID
STK672489
SMILES BrCC1=C(CBr)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 C15H22Br2O MW 378.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H22Br2O/c1-14(2)5-4-6-15(3)11(9-17)10(8-16)12(18)7-13(14)15/h13H,4-9H2,1-3H3/t13?,15-/m1/s1InChIKey
DMTHIPXSMWHVAP-AWKYBWMHSA-NSynonyms
(4aS)34bis(bromomethyl)4a88trimethyl4a56788ahexahydronaphthalen2(1H)one
(4aS)34bis(bromomethyl)4a88trimethyl5678atetrahydro1Hnaphthalen2one
BrCC1=C(CBr)C(=O)CC2(C@)1(C)CCCC2(C)C
CC1(CCCC2(C1CC(=O)C(=C2CBr)CBr)C)C
InChI=1SC15H22Br2Oc114(2)54615(3)11(917)10(816)12(18)713(14)15h13H49H213H3t13?15m1s1
MFCD18246845
ZINC000003117181
ZINC000003117182
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