Vitas-M small molecule compound

N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide

Catalog ID
STK304429
SMILES Cn1ccc(n1)C(=O)Nc1sc2c(c1C(=O)N)CCCCCC2

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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 C16H20N4O2S MW 332.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O2S/c1-20-9-8-11(19-20)15(22)18-16-13(14(17)21)10-6-4-2-3-5-7-12(10)23-16/h8-9H,2-7H2,1H3,(H2,17,21)(H,18,22)
InChIKey
FXDTVGBKCNNHBU-UHFFFAOYSA-N
Synonyms
1005699-72-8
1005699728
CN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)N
InChI=1SC16H20N4O2Sc1209811(1920)15(22)181613(14(17)21)1064235712(10)2316h89H27H21H3(H21721)(H1822)
MFCD04042826
N(3carbamoyl456789hexahydrocycloocta(b)thiophen2yl)1methyl1Hpyrazole3carboxamide
N(3carbamoyl456789hexahydrocycloocta(b)thiophen2yl)1methylpyrazole3carboxamide
ZINC000002780995
ZINC02780995
ZINC2780995

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Available files

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