Vitas-M small molecule compound

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

Catalog ID
STL527993
SMILES C/C(=C\1/C(=O)C[C@@H]2[C@H]1C2(C)C)/NCCCCN/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 C24H36N2O2 MW 384.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H36N2O2/c1-13(19-17(27)11-15-21(19)23(15,3)4)25-9-7-8-10-26-14(2)20-18(28)12-16-22(20)24(16,5)6/h15-16,21-22,25-26H,7-12H2,1-6H3/b19-13+,20-14+/t15-,16-,21-,22-/m1/s1
InChIKey
RKTXBPXWEJDIDX-LRJKJTCDSA-N
Synonyms
956815-12-6
(1~(S)2~(Z)5~(R))2(1(4(((1~(Z))1((1~(S)5~(R))66dimethyl3oxo2bicyclo(310)hexanylidene)ethyl)amino)butylamino)ethylidene)66dimethylbicyclo(310)hexan3one
(1S1S2Z2Z5R5R)22((butane14diylbis(azanediyl))bis(ethan1yl1ylidene))bis(66dimethylbicyclo(310)hexan3one)
(1S2Z5R1S2Z5R)22(butane14diylbis(imino(1Z)eth1yl1ylidene))bis(66dimethylbicyclo(310)hexan3one)
16398423
956815126
CC(=C1C(=O)C(C@@H)2(C@H)1C2(C)C)NCCCCNC(=C1C(=O)C(C@@H)2(C@H)1C2(C)C)C
InChI=1SC24H36N2O2c113(1917(27)111521(19)23(153)4)25978102614(2)2018(28)121622(20)24(165)6h151621222526H712H216H3b1913+2014+t15162122m1s1
MFCD03662113
ZINC000100751084
ZINC100751084

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Available files

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