Vitas-M small molecule compound

3-(4-methoxyphenyl)-2-(4-nitrophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione

Catalog ID
STK679400
SMILES COc1ccc(cc1)C1N2CCCN2C(=S)N1c1ccc(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 C18H18N4O3S MW 370.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O3S/c1-25-16-9-3-13(4-10-16)17-19-11-2-12-20(19)18(26)21(17)14-5-7-15(8-6-14)22(23)24/h3-10,17H,2,11-12H2,1H3
InChIKey
ZPKSFXNEHUQBID-UHFFFAOYSA-N
Synonyms

1(4methoxyphenyl)2(4nitrophenyl)1567tetrahydropyrazolo(12a)(124)triazole3thione
3(4METHOXYPHENYL)2(4NITROPHENYL)3HPYRAZOLIDINO(12A)124TRIAZOLIDINE1THIONE
3(4methoxyphenyl)2(4nitrophenyl)tetrahydro1H5Hpyrazolo(12a)(124)triazole1thione
COC1=CC=C(C=C1)C2N3CCCN3C(=S)N2C4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1)C1N2CCCN2C(=S)N1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H18N4O3Sc125169313(41016)17191121220(19)18(26)21(17)145715(8614)22(23)24h31017H21112H21H3
MFCD03409441
TETRAHYDROPYRAZOLO(12A)(124)TRIAZOLE1THIONE3(4METHOXYPHENYL)2(4NITROPHENYL)
ZINC000004186806
ZINC000004186811

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Available files

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