Vitas-M small molecule compound
N-({4-ethyl-5-[(2-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-3,4-dimethoxybenzamide
Catalog ID
STK246098
SMILES COc1cc(ccc1OC)C(=O)NCc1nnc(n1CC)SCc1ccccc1[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)14-9-10-17(30-2)18(11-14)31-3)23-24-21(25)32-13-15-7-5-6-8-16(15)26(28)29/h5-11H,4,12-13H2,1-3H3,(H,22,27)InChIKey
GEIKWUKSLVGUGN-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC2=CC=CC=C2(N+)(=O)(O))CNC(=O)C3=CC(=C(C=C3)OC)OC
COc1cc(ccc1OC)C(=O)NCc1nnc(n1CC)SCc1ccccc1(N+)(=O)(O)
InChI=1SC21H23N5O5Sc142519(122220(27)1491017(302)18(1114)313)232421(25)321315756816(15)26(28)29h511H41213H213H3(H2227)
MFCD08683278
N((4ethyl5((2nitrobenzyl)sulfanyl)4H124triazol3yl)methyl)34dimethoxybenzamide
N((4ethyl5((2nitrophenyl)methylsulfanyl)124triazol3yl)methyl)34dimethoxybenzamide
N(4ETHYL5(2NITROBENZYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)34DIMETHOXYBENZAMIDE
ZINC000009328778
ZINC09328778
ZINC9328778
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