Vitas-M small molecule compound

N-({4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-3,4-dimethoxybenzamide

Catalog ID
STK245564
SMILES CCn1c(CNC(=O)c2ccc(c(c2)OC)OC)nnc1SCc1ccc(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 C21H23N5O5S MW 457.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O5S/c1-4-25-19(12-22-20(27)15-7-10-17(30-2)18(11-15)31-3)23-24-21(25)32-13-14-5-8-16(9-6-14)26(28)29/h5-11H,4,12-13H2,1-3H3,(H,22,27)
InChIKey
WTKVGVKHFRQGDH-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))CNC(=O)C3=CC(=C(C=C3)OC)OC
CCn1c(CNC(=O)c2ccc(c(c2)OC)OC)nnc1SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H23N5O5Sc142519(122220(27)1571017(302)18(1115)313)232421(25)3213145816(9614)26(28)29h511H41213H213H3(H2227)
MFCD08670170
N((4ETHYL5((4NITROBENZYL)SULFANYL)4H124TRIAZOL3YL)METHYL)34DIMETHOXYBENZAMIDE
N((4ETHYL5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)METHYL)34DIMETHOXYBENZAMIDE
N(4ETHYL5(4NITROBENZYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)34DIMETHOXYBENZAMIDE
ZINC000009306323
ZINC09306323
ZINC9306323

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Available files

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