Vitas-M small molecule compound
2-chloro-N-(3-methyl-1-{5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}butyl)benzamide
Catalog ID
STL138470
SMILES C=CCn1c(nnc1C(NC(=O)c1ccccc1Cl)CC(C)C)SCc1ccc(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 C24H26ClN5O3S MW 500.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN5O3S/c1-4-13-29-22(21(14-16(2)3)26-23(31)19-7-5-6-8-20(19)25)27-28-24(29)34-15-17-9-11-18(12-10-17)30(32)33/h4-12,16,21H,1,13-15H2,2-3H3,(H,26,31)InChIKey
XLLTUJDLDRPYHZ-UHFFFAOYSA-NSynonyms
2chloroN(3methyl1(5((4nitrobenzyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)butyl)benzamide
2CHLORON(3METHYL1(5((4NITROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOL3YL)BUTYL)BENZAMIDE
C=CCn1c(nnc1C(NC(=O)c1ccccc1Cl)CC(C)C)SCc1ccc(cc1)(N+)(=O)(O)
CC(C)CC(C1=NN=C(N1CC=C)SCC2=CC=C(C=C2)(N+)(=O)(O))NC(=O)C3=CC=CC=C3Cl
InChI=1SC24H26ClN5O3Sc14132922(21(1416(2)3)2623(31)19756820(19)25)272824(29)34151791118(121017)30(32)33h4121621H11315H223H3(H2631)
MFCD05992173
ZINC000002859655
ZINC000002859656
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