Vitas-M small molecule compound

4-methoxy-N-{[5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

Catalog ID
STK219193
SMILES C=CCn1c(CNC(=O)c2ccc(cc2)OC)nnc1SCC(=O)c1cccc(c1)[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 C22H21N5O5S MW 467.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O5S/c1-3-11-26-20(13-23-21(29)15-7-9-18(32-2)10-8-15)24-25-22(26)33-14-19(28)16-5-4-6-17(12-16)27(30)31/h3-10,12H,1,11,13-14H2,2H3,(H,23,29)
InChIKey
DRLKTJMMSDDHAA-UHFFFAOYSA-N
Synonyms

4METHOXYN((5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4METHOXYN((5(2(3NITROPHENYL)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
C=CCn1c(CNC(=O)c2ccc(cc2)OC)nnc1SCC(=O)c1cccc(c1)(N+)(=O)(O)
COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC22H21N5O5Sc13112620(132321(29)157918(322)10815)242522(26)331419(28)1654617(1216)27(30)31h31012H1111314H22H3(H2329)
MFCD06007179
ZINC000002880222
ZINC02880222
ZINC2880222

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Available files

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