Vitas-M small molecule compound

methyl 2-({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK474982
SMILES COC(=O)c1c(NC(=O)CSc2nnnn2C)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 C13H15N5O3S2 MW 353.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N5O3S2/c1-18-13(15-16-17-18)22-6-9(19)14-11-10(12(20)21-2)7-4-3-5-8(7)23-11/h3-6H2,1-2H3,(H,14,19)
InChIKey
QDCQANAQPZNHNY-UHFFFAOYSA-N
Synonyms

CN1C(=NN=N1)SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC
InChI=1SC13H15N5O3S2c11813(15161718)2269(19)141110(12(20)212)74358(7)2311h36H212H3(H1419)
methyl2((((1methyl1Htetrazol5yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((2(1METHYLTETRAZOL5YL)SULFANYLACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD05393587
ZINC000006731457
ZINC06731457
ZINC6731457

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Available files

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