Vitas-M small molecule compound
4-methoxy-N-({5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide
Catalog ID
STK218746
SMILES C=CCn1c(CNC(=O)c2ccc(cc2)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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-3-12-25-19(13-22-20(27)16-6-10-18(30-2)11-7-16)23-24-21(25)31-14-15-4-8-17(9-5-15)26(28)29/h3-11H,1,12-14H2,2H3,(H,22,27)InChIKey
JAOAJVJKNOLHTP-UHFFFAOYSA-NSynonyms
4METHOXYN((5((4NITROBENZYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4METHOXYN((5((4NITROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
C=CCn1c(CNC(=O)c2ccc(cc2)OC)nnc1SCc1ccc(cc1)(N+)(=O)(O)
COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H21N5O4Sc13122519(132220(27)1661018(302)11716)232421(25)3114154817(9515)26(28)29h311H11214H22H3(H2227)
MFCD06000597
ZINC000002868622
ZINC02868622
ZINC2868622
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