Vitas-M small molecule compound

methyl 2-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK957781
SMILES COC(=O)c1c(NC(=O)c2ccn(n2)C)sc2c1CCCCCC2

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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 C17H21N3O3S MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O3S/c1-20-10-9-12(19-20)15(21)18-16-14(17(22)23-2)11-7-5-3-4-6-8-13(11)24-16/h9-10H,3-8H2,1-2H3,(H,18,21)
InChIKey
KGDUTMCNVLVXBW-UHFFFAOYSA-N
Synonyms
514218-00-9
514218009
CN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC
InChI=1SC17H21N3O3Sc12010912(1920)15(21)181614(17(22)232)1175346813(11)2416h910H38H212H3(H1821)
methyl2(((1methyl1Hpyrazol3yl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((1methylpyrazole3carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01919756
ZINC000000483741
ZINC00483741
ZINC483741

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Available files

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