Vitas-M small molecule compound

4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole

Catalog ID
STK592227
SMILES COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)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 C22H17ClN4O3S MW 452.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN4O3S/c1-30-20-12-4-16(5-13-20)21-24-25-22(26(21)18-10-6-17(23)7-11-18)31-14-15-2-8-19(9-3-15)27(28)29/h2-13H,14H2,1H3
InChIKey
FMSFNVUAFZDQQD-UHFFFAOYSA-N
Synonyms
618880-63-0
1(4(4CHLOROPHENYL)5((4NITROPHENYL)METHYLTHIO)(124TRIAZOL3YL))4METHOXYBENZENE
4(4chlorophenyl)3(4methoxyphenyl)5((4nitrobenzyl)sulfanyl)4H124triazole
4(4CHLOROPHENYL)3(4METHOXYPHENYL)5((4NITROBENZYL)THIO)4H124TRIAZOLE
4(4CHLOROPHENYL)3(4METHOXYPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
618880630
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H17ClN4O3Sc1302012416(51320)21242522(26(21)1810617(23)71118)3114152819(9315)27(28)29h213H14H21H3
MFCD03223237
ZINC000001862509
ZINC01862509
ZINC1862509

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Available files

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