Vitas-M small molecule compound

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-iodo-1-methyl-1H-pyrazole-5-carboxamide

Catalog ID
STK317389
SMILES N#Cc1c(sc2c1CCCCC2)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 C15H15IN4OS MW 426.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15IN4OS/c1-20-13(11(16)8-18-20)14(21)19-15-10(7-17)9-5-3-2-4-6-12(9)22-15/h8H,2-6H2,1H3,(H,19,21)
InChIKey
DZARLTOBERJNDO-UHFFFAOYSA-N
Synonyms
515848-54-1
515848541
CN1C(=C(C=N1)I)C(=O)NC2=C(C3=C(S2)CCCCC3)C#N
InChI=1SC15H15IN4OSc12013(11(16)81820)14(21)191510(717)95324612(9)2215h8H26H21H3(H1921)
MFCD03759124
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4iodo1methyl1Hpyrazole5carboxamide
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4iodo2methylpyrazole3carboxamide
ZINC000000656846
ZINC00656846
ZINC656846

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Available files

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