Vitas-M small molecule compound

methyl {[4-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Catalog ID
STK470252
SMILES CCCn1c(SCC(=O)OC)nnc1c1csc2c1CCCC2

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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 C16H21N3O2S2 MW 351.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O2S2/c1-3-8-19-15(17-18-16(19)23-10-14(20)21-2)12-9-22-13-7-5-4-6-11(12)13/h9H,3-8,10H2,1-2H3
InChIKey
KMOWFPODDGDOFW-UHFFFAOYSA-N
Synonyms

CCCN1C(=NN=C1SCC(=O)OC)C2=CSC3=C2CCCC3
InChI=1SC16H21N3O2S2c1381915(171816(19)231014(20)212)1292213754611(12)13h9H3810H212H3
methyl((4propyl5(4567tetrahydro1benzothiophen3yl)4H124triazol3yl)sulfanyl)acetate
methyl2((4propyl5(4567tetrahydro1benzothiophen3yl)124triazol3yl)sulfanyl)acetate
MFCD07046545
ZINC000017072970
ZINC17072970

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Available files

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