Vitas-M small molecule compound

2-bromo-4,7,7-trimethyl-3-oxo-N-(prop-2-en-1-yl)bicyclo[2.2.1]heptane-1-carboxamide

Catalog ID
STK972405
SMILES C=CCNC(=O)C12CCC(C2(C)C)(C(=O)C1Br)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 C14H20BrNO2 MW 314.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20BrNO2/c1-5-8-16-11(18)14-7-6-13(4,12(14,2)3)10(17)9(14)15/h5,9H,1,6-8H2,2-4H3,(H,16,18)
InChIKey
JRRPIBNLDTXMLD-UHFFFAOYSA-N
Synonyms
484048-57-9
(1R2R4S)2BROMO477TRIMETHYL3OXON(PROP2EN1YL)BICYCLO(221)HEPTANE1CARBOXAMIDE
(1R2R4S)Nallyl2bromo477trimethyl3oxobicyclo(221)heptane1carboxamide
(1S2S4R)2BROMO477TRIMETHYL3OXON(PROP2EN1YL)BICYCLO(221)HEPTANE1CARBOXAMIDE
(1S2S4S)NALLYL2BROMO477TRIMETHYL3OXOBICYCLO(221)HEPTANE1CARBOXAMIDE
(2BROMO477TRIMETHYL3OXOBICYCLO(221)HEPTYL)NPROP2ENYLCARBOXAMIDE
2bromo477trimethyl3oxoN(prop2en1yl)bicyclo(221)heptane1carboxamide
3BROMO177TRIMETHYL2OXONPROP2ENYLBICYCLO(221)HEPTANE4CARBOXAMIDE
484048579
C=CCNC(=O)C12CCC(C2(C)C)(C(=O)(C@H)1Br)C
CC1(C2(CCC1(C(C2=O)Br)C(=O)NCC=C)C)C
InChI=1SC14H20BrNO2c1581611(18)147613(412(142)3)10(17)9(14)15h59H168H224H3(H1618)
MFCD03230861
NALLYL2BROMO477TRIMETHYL3OXOBICYCLO(221)HEPTANE1CARBOXAMIDE
ZINC000002106592
ZINC000012139883

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.