Vitas-M small molecule compound

(5E)-2-imino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one

Catalog ID
STL415679
SMILES N=C1NC(=O)/C(=C\c2cc3OCOc3cc2[N+](=O)[O-])/S1

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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 C11H7N3O5S MW 293.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H7N3O5S/c12-11-13-10(15)9(20-11)2-5-1-7-8(19-4-18-7)3-6(5)14(16)17/h1-3H,4H2,(H2,12,13,15)/b9-2+
InChIKey
PCKPQIQQVUMWJQ-XNWCZRBMSA-N
Synonyms

(5E)2AMINO5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)13THIAZOL4ONE
(5E)2imino5((6nitro13benzodioxol5yl)methylidene)13thiazolidin4one
2IMINO5((6NITRO(2HBENZO(34D)13DIOXOLAN5YL))METHYLENE)13THIAZOLIDIN4ONE
2IMINO5(6NITROBENZO(13)DIOXOL5YLMETHYLENE)THIAZOLIDIN4ONE
C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)N=C(S3)N)(N+)(=O)(O)
InChI=1SC11H7N3O5Sc12111310(15)9(2011)25178(194187)36(5)14(16)17h13H4H2(H2121315)b92+
MFCD00640679
N=C1NC(=O)C(=Cc2cc3OCOc3cc2(N+)(=O)(O))S1
ZINC000004953862
ZINC04953862
ZINC06974247
ZINC4953862

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Available files

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