Vitas-M small molecule compound
2-{[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Catalog ID
STK273628
SMILES COc1ccccc1c1nnc(n1c1ccccc1)SCC(=O)c1ccc(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 C23H18N4O4S MW 446.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O4S/c1-31-21-10-6-5-9-19(21)22-24-25-23(26(22)17-7-3-2-4-8-17)32-15-20(28)16-11-13-18(14-12-16)27(29)30/h2-14H,15H2,1H3InChIKey
JGLBAYTZBMNIOV-UHFFFAOYSA-NSynonyms
2((5(2methoxyphenyl)4phenyl124triazol3yl)sulfanyl)1(4nitrophenyl)ethanone
2((5(2methoxyphenyl)4phenyl4H124triazol3yl)sulfanyl)1(4nitrophenyl)ethanone
COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
COc1ccccc1c1nnc(n1c1ccccc1)SCC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H18N4O4Sc131211065919(21)22242523(26(22)177324817)321520(28)16111318(141216)27(29)30h214H15H21H3
MFCD08706496
ZINC000009614795
ZINC09614795
ZINC9614795
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