Vitas-M small molecule compound

3-cyclopropyl-4-methyl-5-{[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazole

Catalog ID
STK437432
SMILES Cn1c(SCc2csc(n2)c2ccccc2)nnc1C1CC1

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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 C16H16N4S2 MW 328.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4S2/c1-20-14(11-7-8-11)18-19-16(20)22-10-13-9-21-15(17-13)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3
InChIKey
QGGZJCQPHSUCDR-UHFFFAOYSA-N
Synonyms

3cyclopropyl4methyl5(((2phenyl13thiazol4yl)methyl)sulfanyl)4H124triazole
4((5CYCLOPROPYL4METHYL124TRIAZOL3YL)SULFANYLMETHYL)2PHENYL13THIAZOLE
5CYCLOPROPYL4METHYL3((2PHENYL(13THIAZOL4YL))METHYLTHIO)124TRIAZOLE
CN1C(=NN=C1SCC2=CSC(=N2)C3=CC=CC=C3)C4CC4
InChI=1SC16H16N4S2c12014(117811)181916(20)22101392115(1713)125324612h26911H7810H21H3
MFCD03945048
ZINC000004938324
ZINC04938324
ZINC4938324

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.