Vitas-M small molecule compound

(1S,2Z,5R,1'S,2'Z,5'R)-2,2'-{methanediylbis[benzene-4,1-diylimino(1Z)eth-1-yl-1-ylidene]}bis(6,6-dimethylbicyclo[3.1.0]hexan-3-one)

Catalog ID
STL527911
SMILES C/C(=C\1/C(=O)C[C@@H]2[C@H]1C2(C)C)/Nc1ccc(cc1)Cc1ccc(cc1)N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)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 C33H38N2O2 MW 494.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N2O2/c1-18(28-26(36)16-24-30(28)32(24,3)4)34-22-11-7-20(8-12-22)15-21-9-13-23(14-10-21)35-19(2)29-27(37)17-25-31(29)33(25,5)6/h7-14,24-25,30-31,34-35H,15-17H2,1-6H3/b28-18+,29-19+/t24-,25-,30-,31-/m1/s1
InChIKey
NJPFRICOUWQZCE-CFEDNXQJSA-N
Synonyms
956819-67-3
(1~(S)2~(Z)5~(R))2(1(4((4(((1~(Z))1((1~(S)5~(R))66dimethyl3oxo2bicyclo(310)hexanylidene)ethyl)amino)phenyl)methyl)anilino)ethylidene)66dimethylbicyclo(310)hexan3one
(1S1S2Z2Z5R5R)22(((methylenebis(41phenylene))bis(azanediyl))bis(ethan1yl1ylidene))bis(66dimethylbicyclo(310)hexan3one)
(1S2Z5R1S2Z5R)22(methanediylbis(benzene41diylimino(1Z)eth1yl1ylidene))bis(66dimethylbicyclo(310)hexan3one)
16398376
956819673
CC(=C1C(=O)C(C@@H)2(C@H)1C2(C)C)Nc1ccc(cc1)Cc1ccc(cc1)NC(=C1C(=O)C(C@@H)2(C@H)1C2(C)C)C
InChI=1SC33H38N2O2c118(2826(36)162430(28)32(243)4)342211720(81222)152191323(141021)3519(2)2927(37)172531(29)33(255)6h714242530313435H1517H216H3b2818+2919+t24253031m1s1
MFCD03661912
ZINC000070673878
ZINC70673878

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Available files

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