Vitas-M small molecule compound

2-iodo-N-({2-[(3-methyl-1H-pyrazol-5-yl)carbonyl]hydrazinyl}carbonothioyl)benzamide

Catalog ID
STK013320
SMILES S=C(NC(=O)c1ccccc1I)NNC(=O)c1[nH]nc(c1)C

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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 C13H12IN5O2S MW 429.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12IN5O2S/c1-7-6-10(17-16-7)12(21)18-19-13(22)15-11(20)8-4-2-3-5-9(8)14/h2-6H,1H3,(H,16,17)(H,18,21)(H2,15,19,20,22)
InChIKey
PMEKGIRVYIAXGU-UHFFFAOYSA-N
Synonyms

2IODON(((5METHYL1HPYRAZOLE3CARBONYL)AMINO)CARBAMOTHIOYL)BENZAMIDE
2IODON((2((3METHYL1HPYRAZOL5YL)CARBONYL)HYDRAZINO)CARBOTHIOYL)BENZAMIDE
2IODON((2((3METHYL1HPYRAZOL5YL)CARBONYL)HYDRAZINYL)CARBONOTHIOYL)BENZAMIDE
2IODON((2((5METHYL1HPYRAZOL3YL)CARBONYL)HYDRAZINYL)CARBOTHIOYL)BENZAMIDE
CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2I
InChI=1SC13H12IN5O2Sc17610(17167)12(21)181913(22)1511(20)842359(8)14h26H1H3(H1617)(H1821)(H215192022)
MFCD03592346
S=C(NC(=O)c1ccccc1I)NNC(=O)c1(nH)nc(c1)C
STK013320
ZINC000008400397
ZINC08400397
ZINC8400397

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Available files

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