Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-{[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STL398185
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1CC1CCCO1)c1ccn(n1)C

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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 C20H22N6O4S MW 442.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O4S/c1-25-7-6-15(24-25)19-22-23-20(26(19)10-14-3-2-8-28-14)31-11-18(27)21-13-4-5-16-17(9-13)30-12-29-16/h4-7,9,14H,2-3,8,10-12H2,1H3,(H,21,27)
InChIKey
WYPOMNVRAJDSCC-UHFFFAOYSA-N
Synonyms
1005558-47-3
1005558473
CN1C=CC(=N1)C2=NN=C(N2CC3CCCO3)SCC(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC20H22N6O4Sc1257615(2425)19222320(26(19)10143282814)311118(27)2113451617(913)30122916h47914H2381012H21H3(H2127)
MFCD04049050
N(13BENZODIOXOL5YL)2((5(1METHYL1HPYRAZOL3YL)4(TETRAHYDROFURAN2YLMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13BENZODIOXOL5YL)2((5(1METHYLPYRAZOL3YL)4(OXOLAN2YLMETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000002756174
ZINC000002756175

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Available files

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