Vitas-M small molecule compound
(2E)-4-oxo-4-[phenyl(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)amino]but-2-enoic acid
Catalog ID
STK035875
SMILES O=C(N(C1CC2=C(CC1(C)C)C(CCC2)(C)C)c1ccccc1)/C=C/C(=O)O
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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 C24H31NO3 MW 381.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO3/c1-23(2)14-8-9-17-15-20(24(3,4)16-19(17)23)25(18-10-6-5-7-11-18)21(26)12-13-22(27)28/h5-7,10-13,20H,8-9,14-16H2,1-4H3,(H,27,28)/b13-12+InChIKey
SXSWWVPRDDMGOA-OUKQBFOZSA-NSynonyms
671773-66-3(2E)4oxo4(phenyl(3355tetramethyl12345678octahydronaphthalen2yl)amino)but2enoicacid
(E)4oxo4(N(3355tetramethyl124678hexahydronaphthalen2yl)anilino)but2enoicacid
(E)4oxo4(phenyl(3355tetramethyl12345678octahydronaphthalen2yl)amino)but2enoicacid
671773663
CC1(CCCC2=C1CC(C(C2)N(C3=CC=CC=C3)C(=O)C=CC(=O)O)(C)C)C
InChI=1SC24H31NO3c123(2)1489171520(24(34)1619(17)23)25(18106571118)21(26)121322(27)28h57101320H891416H214H3(H2728)b1312+
MFCD03612507
O=C(N(C1CC2=C(CC1(C)C)C(CCC2)(C)C)c1ccccc1)C=CC(=O)O
STK035875
ZINC000001748515
ZINC000001748516
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