Vitas-M small molecule compound

ethyl 2-[(pyrazin-2-ylcarbamothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK456172
SMILES CCOC(=O)c1c(NC(=S)Nc2nccnc2)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 C18H22N4O2S2 MW 390.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O2S2/c1-2-24-17(23)15-12-7-5-3-4-6-8-13(12)26-16(15)22-18(25)21-14-11-19-9-10-20-14/h9-11H,2-8H2,1H3,(H2,20,21,22,25)
InChIKey
FOECDKOVISIXNE-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC3=NC=CN=C3
ethyl2((pyrazin2ylcarbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2(pyrazin2ylcarbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC18H22N4O2S2c122417(23)151275346813(12)2616(15)2218(25)211411199102014h911H28H21H3(H220212225)
MFCD05991706
ZINC000002858654
ZINC02858654
ZINC2858654

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Available files

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