Vitas-M small molecule compound

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

Catalog ID
STK443543
SMILES CCCn1c(SCC(=O)Nc2sccc2C(=O)OC)nnc1C1CC1

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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 C16H20N4O3S2 MW 380.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O3S2/c1-3-7-20-13(10-4-5-10)18-19-16(20)25-9-12(21)17-14-11(6-8-24-14)15(22)23-2/h6,8,10H,3-5,7,9H2,1-2H3,(H,17,21)
InChIKey
GXDBGHXDWTZMRA-UHFFFAOYSA-N
Synonyms

CCCN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C(=O)OC)C3CC3
InChI=1SC16H20N4O3S2c1372013(104510)181916(20)25912(21)171411(682414)15(22)232h6810H3579H212H3(H1721)
methyl2((((5cyclopropyl4propyl4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
methyl2((2((5cyclopropyl4propyl124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
METHYL2(2(5CYCLOPROPYL4PROPYL124TRIAZOL3YLTHIO)ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD04054824
ZINC000006400259
ZINC06400259
ZINC6400259

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Available files

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