Vitas-M small molecule compound

(3,4-dimethoxyphenyl){3-(pyridin-3-yl)-5-[(thiophen-2-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}methanone

Catalog ID
STK709349
SMILES COc1cc(ccc1OC)C(=O)n1nc(nc1NCc1cccs1)c1cccnc1

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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 C21H19N5O3S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3S/c1-28-17-8-7-14(11-18(17)29-2)20(27)26-21(23-13-16-6-4-10-30-16)24-19(25-26)15-5-3-9-22-12-15/h3-12H,13H2,1-2H3,(H,23,24,25)
InChIKey
IPEODRHNIXIJPL-UHFFFAOYSA-N
Synonyms

(34dimethoxyphenyl)(3(pyridin3yl)5((thiophen2ylmethyl)amino)1H124triazol1yl)methanone
(34DIMETHOXYPHENYL)(3PYRIDIN3YL5(THIOPHEN2YLMETHYLAMINO)124TRIAZOL1YL)METHANONE
COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4)OC
InChI=1SC21H19N5O3Sc128178714(1118(17)292)20(27)2621(23131664103016)2419(2526)15539221215h312H13H212H3(H232425)
MFCD06618859
ZINC000009195161
ZINC09195161
ZINC9195161

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Available files

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