Vitas-M small molecule compound

N-cyclooctyl-1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

Catalog ID
STL251890
SMILES O=C(c1c(C)nn(c1C)C1CCS(=O)(=O)C1)NC1CCCCCCC1

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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 C18H29N3O3S MW 367.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H29N3O3S/c1-13-17(18(22)19-15-8-6-4-3-5-7-9-15)14(2)21(20-13)16-10-11-25(23,24)12-16/h15-16H,3-12H2,1-2H3,(H,19,22)
InChIKey
XWVKSXAWDYYGMK-UHFFFAOYSA-N
Synonyms
1374536-40-9
1374536409
CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)C(=O)NC3CCCCCCC3
InChI=1SC18H29N3O3Sc11317(18(22)1915864357915)14(2)21(2013)16101125(2324)1216h1516H312H212H3(H1922)
MFCD22203807
Ncyclooctyl1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazole4carboxamide
Ncyclooctyl1(11dioxothiolan3yl)35dimethylpyrazole4carboxamide
ZINC000072405414
ZINC000072405415

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Available files

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