Vitas-M small molecule compound
4-methoxy-N-[2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK235953
SMILES COc1ccc(cc1)C(=O)NCCc1nnc(n1C)SCC(=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 C21H21N5O5S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5S/c1-25-19(10-11-22-20(28)14-6-8-17(31-2)9-7-14)23-24-21(25)32-13-18(27)15-4-3-5-16(12-15)26(29)30/h3-9,12H,10-11,13H2,1-2H3,(H,22,28)InChIKey
GNCNDVKLEKPAJH-UHFFFAOYSA-NSynonyms
4METHOXYN(2(4METHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4METHOXYN(2(4METHYL5(2(3NITROPHENYL)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
4METHOXYN(2(4METHYL5(2(3NITROPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CCNC(=O)C3=CC=C(C=C3)OC
COc1ccc(cc1)C(=O)NCCc1nnc(n1C)SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H21N5O5Sc12519(10112220(28)146817(312)9714)232421(25)321318(27)1543516(1215)26(29)30h3912H101113H212H3(H2228)
MFCD06006879
ZINC000002879591
ZINC02879591
ZINC2879591
Check stock
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Check stock on Vitas-MAvailable files
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