Vitas-M small molecule compound
(5S,6R)-6-(5-nitro-2H-tetrazol-2-yl)-3-phenyl-5-(thiophen-2-yl)cyclohex-2-en-1-one
Catalog ID
STK753676
SMILES O=C1C=C(C[C@@H]([C@H]1n1nnc(n1)[N+](=O)[O-])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 C17H13N5O3S MW 367.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N5O3S/c23-14-10-12(11-5-2-1-3-6-11)9-13(15-7-4-8-26-15)16(14)21-19-17(18-20-21)22(24)25/h1-8,10,13,16H,9H2/t13-,16-/m1/s1InChIKey
HRIMPJVBIURDQV-CZUORRHYSA-NSynonyms
(5S6R)6(5nitro2Htetrazol2yl)3phenyl5(thiophen2yl)cyclohex2en1one
(5S6R)6(5NITRO2HTETRAZOL2YL)3PHENYL5THIEN2YLCYCLOHEX2EN1ONE
(5S6R)6(5NITRO2TETRAZOLYL)3PHENYL5THIOPHEN2YL1CYCLOHEX2ENONE
(5S6R)6(5NITROTETRAZOL2YL)3PHENYL5(2THIENYL)CYCLOHEX2EN1ONE
(5S6R)6(5NITROTETRAZOL2YL)3PHENYL5THIOPHEN2YLCYCLOHEX2EN1ONE
C1C(C(C(=O)C=C1C2=CC=CC=C2)N3N=C(N=N3)(N+)(=O)(O))C4=CC=CS4
InChI=1SC17H13N5O3Sc23141012(115213611)913(157482615)16(14)211917(182021)22(24)25h18101316H9H2t1316m1s1
MFCD13372035
O=C1C=C(C(C@@H)((C@H)1n1nnc(n1)(N+)(=O)(O))c1cccs1)c1ccccc1
ZINC000001079215
ZINC01079215
ZINC1079215
Check stock
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Check stock on Vitas-MAvailable files
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