Vitas-M small molecule compound

methyl 4,5-dimethyl-2-({[(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate

Catalog ID
STK444347
SMILES CCCn1c(SCC(=O)Nc2sc(c(c2C(=O)OC)C)C)nnc1C

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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 C16H22N4O3S2 MW 382.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N4O3S2/c1-6-7-20-11(4)18-19-16(20)24-8-12(21)17-14-13(15(22)23-5)9(2)10(3)25-14/h6-8H2,1-5H3,(H,17,21)
InChIKey
OLINRWWZSXBPFA-UHFFFAOYSA-N
Synonyms

CCCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC)C
InChI=1SC16H22N4O3S2c1672011(4)181916(20)24812(21)171413(15(22)235)9(2)10(3)2514h68H215H3(H1721)
methyl45dimethyl2((((5methyl4propyl4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
methyl45dimethyl2((2((5methyl4propyl124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
METHYL45DIMETHYL2(2(5METHYL4PROPYL(124TRIAZOL3YLTHIO))ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD04055513
ZINC000006400176
ZINC06400176
ZINC6400176

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Available files

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