Vitas-M small molecule compound

ethyl 2-{[(2-methylpiperidin-1-yl)carbonothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK438540
SMILES CCOC(=O)c1c(NC(=S)N2CCCCC2C)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 C20H30N2O2S2 MW 394.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H30N2O2S2/c1-3-24-19(23)17-15-11-6-4-5-7-12-16(15)26-18(17)21-20(25)22-13-9-8-10-14(22)2/h14H,3-13H2,1-2H3,(H,21,25)
InChIKey
LFPUQKJUSAWUSP-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)N3CCCCC3C
ethyl2(((2methylpiperidin1yl)carbonothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((2methylpiperidine1carbothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC20H30N2O2S2c132419(23)17151164571216(15)2618(17)2120(25)2213981014(22)2h14H313H212H3(H2125)
MFCD03945503
ZINC000005979964
ZINC000005979966

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Available files

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