Vitas-M small molecule compound

N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-iodo-1-methyl-1H-pyrazole-5-carboxamide

Catalog ID
STK304394
SMILES CC1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1c(I)cnn1C

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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 C15H17IN4O2S MW 444.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17IN4O2S/c1-7-3-4-8-10(5-7)23-15(11(8)13(17)21)19-14(22)12-9(16)6-18-20(12)2/h6-7H,3-5H2,1-2H3,(H2,17,21)(H,19,22)
InChIKey
DSDAXOYCNDQJFV-UHFFFAOYSA-N
Synonyms
1005698-79-2
1005698792
CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=NN3C)I
InChI=1SC15H17IN4O2Sc1734810(57)2315(11(8)13(17)21)1914(22)129(16)61820(12)2h67H35H212H3(H21721)(H1922)
MFCD04043268
N(3carbamoyl6methyl4567tetrahydro1benzothiophen2yl)4iodo1methyl1Hpyrazole5carboxamide
N(3carbamoyl6methyl4567tetrahydro1benzothiophen2yl)4iodo2methylpyrazole3carboxamide
ZINC000002780882
ZINC000002780883

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Available files

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