Vitas-M small molecule compound

N-(2,5-dimethylphenyl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK117091
SMILES COc1cccc2c1oc(c2)c1nnc(n1C)SCC(=O)Nc1cc(C)ccc1C

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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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-13-8-9-14(2)16(10-13)23-19(27)12-30-22-25-24-21(26(22)3)18-11-15-6-5-7-17(28-4)20(15)29-18/h5-11H,12H2,1-4H3,(H,23,27)
InChIKey
VNQWYRFPWLMFCB-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC22H22N4O3Sc1138914(2)16(1013)2319(27)123022252421(26(22)3)18111565717(284)20(15)2918h511H12H214H3(H2327)
MFCD04091002
N(25DIMETHYLPHENYL)2((5(7METHOXY1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(25DIMETHYLPHENYL)2((5(7METHOXY1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(25DIMETHYLPHENYL)2(5(7METHOXYBENZOFURAN2YL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETAMIDE
ZINC000000687525
ZINC00687525
ZINC687525

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Available files

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