Vitas-M small molecule compound
4-(furan-2-ylmethyl)-3-(4-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STL054118
SMILES Cc1ccc(cc1)c1nnc(n1Cc1ccco1)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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-15-4-8-17(9-5-15)20-22-23-21(24(20)13-19-3-2-12-28-19)29-14-16-6-10-18(11-7-16)25(26)27/h2-12H,13-14H2,1H3InChIKey
RIOUWHCDNWASAY-UHFFFAOYSA-NSynonyms
714922-67-54(furan2ylmethyl)3((4nitrobenzyl)thio)5(ptolyl)4H124triazole
4(furan2ylmethyl)3(4methylphenyl)5((4nitrobenzyl)sulfanyl)4H124triazole
4(FURAN2YLMETHYL)3(4METHYLPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
714922675
CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)(N+)(=O)(O)
Cc1ccc(cc1)c1nnc(n1Cc1ccco1)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H18N4O3Sc1154817(9515)20222321(24(20)131932122819)29141661018(11716)25(26)27h212H1314H21H3
MFCD05684306
ZINC000005478276
ZINC05478276
ZINC5478276
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