Vitas-M small molecule compound
2-{[4-(3-chloro-4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Catalog ID
STK233120
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1c1ccc(c(c1)Cl)C)c1ccccc1
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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 C23H17ClN4O3S MW 464.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN4O3S/c1-15-7-10-19(13-20(15)24)27-22(17-5-3-2-4-6-17)25-26-23(27)32-14-21(29)16-8-11-18(12-9-16)28(30)31/h2-13H,14H2,1H3InChIKey
MVACSXNMAGKFOM-UHFFFAOYSA-NSynonyms
2((4(3CHLORO4METHYLPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
2((4(3chloro4methylphenyl)5phenyl4H124triazol3yl)sulfanyl)1(4nitrophenyl)ethanone
CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4)Cl
InChI=1SC23H17ClN4O3Sc11571019(1320(15)24)2722(175324617)252623(27)321421(29)1681118(12916)28(30)31h213H14H21H3
MFCD06630676
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1c1ccc(c(c1)Cl)C)c1ccccc1
ZINC000009291050
ZINC09291050
ZINC9291050
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