Vitas-M small molecule compound

3-[(4-tert-butylphenoxy)methyl]-4-ethyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole

Catalog ID
STK465372
SMILES CCn1c(nnc1SCn1ncc(c1)[N+](=O)[O-])COc1ccc(cc1)C(C)(C)C

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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 C19H24N6O3S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N6O3S/c1-5-24-17(12-28-16-8-6-14(7-9-16)19(2,3)4)21-22-18(24)29-13-23-11-15(10-20-23)25(26)27/h6-11H,5,12-13H2,1-4H3
InChIKey
SXXMALKPRPNIGQ-UHFFFAOYSA-N
Synonyms

1(TERTBUTYL)4((4ETHYL5((4NITROPYRAZOLYL)METHYLTHIO)(124TRIAZOL3YL))METHOXY)BENZENE
3((4tertbutylphenoxy)methyl)4ethyl5(((4nitro1Hpyrazol1yl)methyl)sulfanyl)4H124triazole
3((4tertbutylphenoxy)methyl)4ethyl5((4nitropyrazol1yl)methylsulfanyl)124triazole
CCN1C(=NN=C1SCN2C=C(C=N2)(N+)(=O)(O))COC3=CC=C(C=C3)C(C)(C)C
CCn1c(nnc1SCn1ncc(c1)(N+)(=O)(O))COc1ccc(cc1)C(C)(C)C
InChI=1SC19H24N6O3Sc152417(1228168614(7916)19(23)4)212218(24)2913231115(102023)25(26)27h611H51213H214H3
MFCD06756419
ZINC000017090713
ZINC17090713

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Available files

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