Vitas-M small molecule compound
(4Z)-2-(methylsulfanyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-5(4H)-one
Catalog ID
STK522085
SMILES [O-][N+](=O)c1cc2OCOc2cc1/C=C/1\N=C(SC1=O)SC
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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 C12H8N2O5S2 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8N2O5S2/c1-20-12-13-7(11(15)21-12)2-6-3-9-10(19-5-18-9)4-8(6)14(16)17/h2-4H,5H2,1H3/b7-2-InChIKey
DUYOZVOSQDBGHB-UQCOIBPSSA-NSynonyms
(4Z)2(methylsulfanyl)4((6nitro13benzodioxol5yl)methylidene)13thiazol5(4H)one
(4Z)2METHYLSULFANYL4((6NITRO13BENZODIOXOL5YL)METHYLIDENE)13THIAZOL5ONE
(O)(N+)(=O)c1cc2OCOc2cc1C=C1N=C(SC1=O)SC
CSC1=NC(=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3)C(=O)S1
InChI=1SC12H8N2O5S2c12012137(11(15)2112)263910(195189)48(6)14(16)17h24H5H21H3b72
MFCD02377433
ZINC000005151582
ZINC05151582
ZINC5151582
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