Vitas-M small molecule compound
(5S,6R)-6-(3-nitro-1H-1,2,4-triazol-1-yl)-3,5-di(thiophen-2-yl)cyclohex-2-en-1-one
Catalog ID
STK753989
SMILES O=C1C=C(C[C@@H]([C@H]1n1cnc(n1)[N+](=O)[O-])c1cccs1)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 C16H12N4O3S2 MW 372.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N4O3S2/c21-12-8-10(13-3-1-5-24-13)7-11(14-4-2-6-25-14)15(12)19-9-17-16(18-19)20(22)23/h1-6,8-9,11,15H,7H2/t11-,15-/m1/s1InChIKey
WEUDMPKDCOMRRO-IAQYHMDHSA-NSynonyms
(5S6R)6(3NITRO124TRIAZOL1YL)35DITHIOPHEN2YLCYCLOHEX2EN1ONE
(5S6R)6(3nitro1H124triazol1yl)35di(thiophen2yl)cyclohex2en1one
C1C(C(C(=O)C=C1C2=CC=CS2)N3C=NC(=N3)(N+)(=O)(O))C4=CC=CS4
InChI=1SC16H12N4O3S2c2112810(133152413)711(144262514)15(12)1991716(1819)20(22)23h16891115H7H2t1115m1s1
MFCD01244687
O=C1C=C(C(C@@H)((C@H)1n1cnc(n1)(N+)(=O)(O))c1cccs1)c1cccs1
ZINC000001056416
ZINC01056416
ZINC1056416
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