Vitas-M small molecule compound

methyl 2-[(acetylcarbamothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK324290
SMILES COC(=O)c1c(NC(=S)NC(=O)C)sc2c1CCC2

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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 C12H14N2O3S2 MW 298.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O3S2/c1-6(15)13-12(18)14-10-9(11(16)17-2)7-4-3-5-8(7)19-10/h3-5H2,1-2H3,(H2,13,14,15,18)
InChIKey
XNGVITGYAKSEMX-UHFFFAOYSA-N
Synonyms

CC(=O)NC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OC
InChI=1SC12H14N2O3S2c16(15)1312(18)14109(11(16)172)74358(7)1910h35H212H3(H213141518)
methyl2((acetylcarbamothioyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2(ACETYLCARBAMOTHIOYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD05621299
ZINC000006856962
ZINC06856962
ZINC6856962

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Available files

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