Vitas-M small molecule compound
N-(2-{4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzamide
Catalog ID
STK245683
SMILES COc1ccc(cc1)C(=O)NCCc1nnc(n1CC)SCc1ccc(cc1)[N+](=O)[O-]
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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 C21H23N5O4S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4S/c1-3-25-19(12-13-22-20(27)16-6-10-18(30-2)11-7-16)23-24-21(25)31-14-15-4-8-17(9-5-15)26(28)29/h4-11H,3,12-14H2,1-2H3,(H,22,27)InChIKey
BHHUHFXWRPZJSX-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))CCNC(=O)C3=CC=C(C=C3)OC
COc1ccc(cc1)C(=O)NCCc1nnc(n1CC)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H23N5O4Sc132519(12132220(27)1661018(302)11716)232421(25)3114154817(9515)26(28)29h411H31214H212H3(H2227)
MFCD08670346
N(2(4ETHYL5((4NITROBENZYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)4METHOXYBENZAMIDE
N(2(4ethyl5((4nitrophenyl)methylsulfanyl)124triazol3yl)ethyl)4methoxybenzamide
N(2(4ETHYL5(4NITROBENZYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)4METHOXYBENZAMIDE
ZINC000009327819
ZINC09327819
ZINC9327819
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