Vitas-M small molecule compound

1-(4-iodophenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione

Catalog ID
STK028918
SMILES Ic1ccc(cc1)N1C(=O)CC(C1=O)Sc1[nH]cnn1

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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 C12H9IN4O2S MW 400.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9IN4O2S/c13-7-1-3-8(4-2-7)17-10(18)5-9(11(17)19)20-12-14-6-15-16-12/h1-4,6,9H,5H2,(H,14,15,16)
InChIKey
KWCMEZRYDCUVGA-UHFFFAOYSA-N
Synonyms
372505-21-0
1(4IODOPHENYL)3(1H124TRIAZOL5YLSULFANYL)PYRROLIDINE25DIONE
1(4IODOPHENYL)3(4H(124)TRIAZOL3YLSULFANYL)PYRROLIDINE25DIONE
1(4IODOPHENYL)3(4H124TRIAZOL3YLSULFANYL)25PYRROLIDINEDIONE
1(4IODOPHENYL)3(4H124TRIAZOL3YLSULFANYL)PYRROLIDINE25DIONE
25PYRROLIDINEDIONE1(4IODOPHENYL)3(4H124TRIAZOL3YLTHIO)
3((4H124triazol3yl)thio)1(4iodophenyl)pyrrolidine25dione
3(4H124TRIAZOL3YLTHIO)1(4IODOPHENYL)AZOLIDINE25DIONE
372505210
C1C(C(=O)N(C1=O)C2=CC=C(C=C2)I)SC3=NC=NN3
Ic1ccc(cc1)N1C(=O)CC(C1=O)Sc1(nH)cnn1
InChI=1SC12H9IN4O2Sc137138(427)1710(18)59(11(17)19)2012146151612h1469H5H2(H141516)
MFCD01944422
STK028918
ZINC000018285740
ZINC000018285744

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.