Vitas-M small molecule compound
2-{[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STK186982
SMILES Cc1cccc(c1)c1nnc(n1c1ccccc1)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 C23H18N4O3S MW 430.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O3S/c1-16-7-5-9-18(13-16)22-24-25-23(26(22)19-10-3-2-4-11-19)31-15-21(28)17-8-6-12-20(14-17)27(29)30/h2-14H,15H2,1H3InChIKey
DTUGXUNERDVQQO-UHFFFAOYSA-NSynonyms
2((5(3METHYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5(3METHYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
Cc1cccc(c1)c1nnc(n1c1ccccc1)SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC23H18N4O3Sc11675918(1316)22242523(26(22)19103241119)311521(28)17861220(1417)27(29)30h214H15H21H3
MFCD06625657
ZINC000002874764
ZINC02874764
ZINC2874764
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