Vitas-M small molecule compound
2-{[4-(2-methylphenyl)-5-{[(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STL186083
SMILES Cc1ccc(cc1)NCc1nnc(n1c1ccccc1C)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 C25H23N5O3S MW 473.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3S/c1-17-10-12-20(13-11-17)26-15-24-27-28-25(29(24)22-9-4-3-6-18(22)2)34-16-23(31)19-7-5-8-21(14-19)30(32)33/h3-14,26H,15-16H2,1-2H3InChIKey
NBCDFLKFXFANAW-UHFFFAOYSA-NSynonyms
2((4(2methylphenyl)5(((4methylphenyl)amino)methyl)4H124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
2((5((4methylanilino)methyl)4(2methylphenyl)124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3C)SCC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
Cc1ccc(cc1)NCc1nnc(n1c1ccccc1C)SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC25H23N5O3Sc117101220(131117)261524272825(29(24)22943618(22)2)341623(31)1975821(1419)30(32)33h31426H1516H212H3
MFCD03460540
ZINC000022409586
ZINC22409586
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