Vitas-M small molecule compound

2-({3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazol-5-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide

Catalog ID
STK852114
SMILES COc1cc(/C=C/c2n[nH]c(n2)SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-])ccc1OC

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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 C21H21N5O5S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5S/c1-13-4-7-15(26(28)29)11-16(13)22-20(27)12-32-21-23-19(24-25-21)9-6-14-5-8-17(30-2)18(10-14)31-3/h4-11H,12H2,1-3H3,(H,22,27)(H,23,24,25)/b9-6+
InChIKey
IMJPFIJTYZVGRB-RMKNXTFCSA-N
Synonyms
696627-26-6
(E)2((5(34dimethoxystyryl)4H124triazol3yl)thio)N(2methyl5nitrophenyl)acetamide
2((3((E)2(34dimethoxyphenyl)ethenyl)1H124triazol5yl)sulfanyl)N(2methyl5nitrophenyl)acetamide
2((5((E)2(34DIMETHOXYPHENYL)ETHENYL)1H124TRIAZOL3YL)SULFANYL)N(2METHYL5NITROPHENYL)ACETAMIDE
696627266
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NNC(=N2)C=CC3=CC(=C(C=C3)OC)OC
COc1cc(C=Cc2n(nH)c(n2)SCC(=O)Nc2cc(ccc2C)(N+)(=O)(O))ccc1OC
COc1cc(C=Cc2nnc((nH)2)SCC(=O)Nc2cc(ccc2C)(N+)(=O)(O))ccc1OC
InChI=1SC21H21N5O5Sc1134715(26(28)29)1116(13)2220(27)1232212319(242521)96145817(302)18(1014)313h411H12H213H3(H2227)(H232425)b96+
MFCD18169740
ZINC000009108758
ZINC09108758
ZINC9108758

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.