Vitas-M small molecule compound

N-[5-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]-3,4,5-trimethoxybenzamide

Catalog ID
STK344595
SMILES COc1cc(cc(c1OC)OC)C(=O)Nc1cc(ccc1C)c1nn2c(s1)nnc2CC

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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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-6-18-24-25-22-27(18)26-21(32-22)13-8-7-12(2)15(9-13)23-20(28)14-10-16(29-3)19(31-5)17(11-14)30-4/h7-11H,6H2,1-5H3,(H,23,28)
InChIKey
IOXPFTNOEGWJCS-UHFFFAOYSA-N
Synonyms

CCC1=NN=C2N1N=C(S2)C3=CC(=C(C=C3)C)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI=1SC22H23N5O4Sc161824252227(18)2621(3222)138712(2)15(913)2320(28)141016(293)19(315)17(1114)304h711H6H215H3(H2328)
MFCD05829769
N(5(3ETHYL(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)2METHYLPHENYL)345TRIMETHOXYBENZAMIDE
ZINC000009594479
ZINC09594479
ZINC9594479

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Available files

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