Vitas-M small molecule compound
(5S,6R)-6-(1H-benzotriazol-1-yl)-3-phenyl-5-(thiophen-2-yl)cyclohex-2-en-1-one
Catalog ID
STK752476
SMILES O=C1C=C(C[C@@H]([C@H]1n1nnc2c1cccc2)c1cccs1)c1ccccc1
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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 C22H17N3OS MW 371.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3OS/c26-20-14-16(15-7-2-1-3-8-15)13-17(21-11-6-12-27-21)22(20)25-19-10-5-4-9-18(19)23-24-25/h1-12,14,17,22H,13H2/t17-,22-/m1/s1InChIKey
XZJFJKRMOLBXKH-VGOFRKELSA-NSynonyms
(5S6R)6(1Hbenzotriazol1yl)3phenyl5(thiophen2yl)cyclohex2en1one
(5S6R)6(BENZOTRIAZOL1YL)3PHENYL5THIOPHEN2YLCYCLOHEX2EN1ONE
(5S6R)6BENZOTRIAZOLYL3PHENYL5(2THIENYL)CYCLOHEX2EN1ONE
C1C(C(C(=O)C=C1C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C5=CC=CS5
InChI=1SC22H17N3OSc26201416(157213815)1317(21116122721)22(20)25191054918(19)232425h112141722H13H2t1722m1s1
MFCD13372032
O=C1C=C(C(C@@H)((C@H)1n1nnc2c1cccc2)c1cccs1)c1ccccc1
ZINC000001055399
ZINC01055399
ZINC1055399
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