Vitas-M small molecule compound
(5S,6R)-6-(5-nitro-2H-tetrazol-2-yl)-5-(thiophen-2-yl)-3-[(E)-2-(thiophen-2-yl)ethenyl]cyclohex-2-en-1-one
Catalog ID
STK672834
SMILES O=C1C=C(/C=C/c2cccs2)C[C@@H]([C@H]1n1nnc(n1)[N+](=O)[O-])c1cccs1
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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 C17H13N5O3S2 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N5O3S2/c23-14-10-11(5-6-12-3-1-7-26-12)9-13(15-4-2-8-27-15)16(14)21-19-17(18-20-21)22(24)25/h1-8,10,13,16H,9H2/b6-5+/t13-,16-/m1/s1InChIKey
XXWORPTXWIPYSW-GBYQGRNTSA-NSynonyms
(5S6R)6(5nitro2Htetrazol2yl)5(thiophen2yl)3((E)2(thiophen2yl)ethenyl)cyclohex2en1one
(5S6R)6(5NITROTETRAZOL2YL)5THIOPHEN2YL3((E)2THIOPHEN2YLETHENYL)CYCLOHEX2EN1ONE
C1C(C(C(=O)C=C1C=CC2=CC=CS2)N3N=C(N=N3)(N+)(=O)(O))C4=CC=CS4
InChI=1SC17H13N5O3S2c23141011(56123172612)913(154282715)16(14)211917(182021)22(24)25h18101316H9H2b65+t1316m1s1
MFCD18246849
O=C1C=C(C=Cc2cccs2)C(C@@H)((C@H)1n1nnc(n1)(N+)(=O)(O))c1cccs1
ZINC000004473771
ZINC04473771
ZINC4473771
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