Vitas-M small molecule compound

2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dicyclohexylacetamide

Catalog ID
STK177524
SMILES Clc1ccc2c(c1)cc(o2)c1nnc(n1C)SCC(=O)N(C1CCCCC1)C1CCCCC1

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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 C25H31ClN4O2S MW 487.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31ClN4O2S/c1-29-24(22-15-17-14-18(26)12-13-21(17)32-22)27-28-25(29)33-16-23(31)30(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h12-15,19-20H,2-11,16H2,1H3
InChIKey
OKDHHDGNLGAMLR-UHFFFAOYSA-N
Synonyms

2((5(5chloro1benzofuran2yl)4methyl124triazol3yl)sulfanyl)NNdicyclohexylacetamide
2((5(5CHLORO1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)NNDICYCLOHEXYLACETAMIDE
CN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC5=C(O4)C=CC(=C5)Cl
InChI=1SC25H31ClN4O2Sc12924(2215171418(26)121321(17)3222)272825(29)331623(31)30(198425919)20106371120h12151920H21116H21H3
MFCD04394475
ZINC000009892587
ZINC09892587
ZINC9892587

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Available files

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