Vitas-M small molecule compound
N-{[4-ethyl-5-({2-[(4-methoxybenzyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK297788
SMILES COc1ccc(cc1)CNC(=O)CSc1nnc(n1CC)CNC(=O)c1ccc2c(c1)OCO2
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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 C23H25N5O5S MW 483.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O5S/c1-3-28-20(12-25-22(30)16-6-9-18-19(10-16)33-14-32-18)26-27-23(28)34-13-21(29)24-11-15-4-7-17(31-2)8-5-15/h4-10H,3,11-14H2,1-2H3,(H,24,29)(H,25,30)InChIKey
BEBAIYLLSUJPHU-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4ETHYL5((4METHOXYBENZYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)OC)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC23H25N5O5Sc132820(122522(30)16691819(1016)33143218)262723(28)341321(29)2411154717(312)8515h410H31114H212H3(H2429)(H2530)
MFCD09961182
N((4ethyl5((2((4methoxybenzyl)amino)2oxoethyl)sulfanyl)4H124triazol3yl)methyl)13benzodioxole5carboxamide
N((4ethyl5(2((4methoxyphenyl)methylamino)2oxoethyl)sulfanyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000013956752
ZINC13956752
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