Vitas-M small molecule compound

(5S,6R)-6-(3-nitro-1H-1,2,4-triazol-1-yl)-5-(thiophen-2-yl)-3-[(E)-2-(thiophen-2-yl)ethenyl]cyclohex-2-en-1-one

Catalog ID
STK672835
SMILES O=C1C=C(/C=C/c2cccs2)C[C@@H]([C@H]1n1cnc(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 C18H14N4O3S2 MW 398.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4O3S2/c23-15-10-12(5-6-13-3-1-7-26-13)9-14(16-4-2-8-27-16)17(15)21-11-19-18(20-21)22(24)25/h1-8,10-11,14,17H,9H2/b6-5+/t14-,17-/m1/s1
InChIKey
LZKRUCBPPWCNKQ-SCYVGKGRSA-N
Synonyms

(5S6R)6(3NITRO124TRIAZOL1YL)5THIOPHEN2YL3((E)2THIOPHEN2YLETHENYL)CYCLOHEX2EN1ONE
(5S6R)6(3nitro1H124triazol1yl)5(thiophen2yl)3((E)2(thiophen2yl)ethenyl)cyclohex2en1one
3((1E)2(2THIENYL)VINYL)(5S6R)6(3NITRO(124TRIAZOLYL))5(2THIENYL)CYCLOHEX2EN1ONE
C1C(C(C(=O)C=C1C=CC2=CC=CS2)N3C=NC(=N3)(N+)(=O)(O))C4=CC=CS4
InChI=1SC18H14N4O3S2c23151012(56133172613)914(164282716)17(15)21111918(2021)22(24)25h1810111417H9H2b65+t1417m1s1
MFCD18246850
O=C1C=C(C=Cc2cccs2)C(C@@H)((C@H)1n1cnc(n1)(N+)(=O)(O))c1cccs1
ZINC000004473773
ZINC04473773
ZINC4473773

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Available files

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