Vitas-M small molecule compound

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

Catalog ID
STK436888
SMILES CC(c1nnc(n1C)SCc1csc(n1)c1ccccc1)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 C16H18N4S2 MW 330.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4S2/c1-11(2)14-18-19-16(20(14)3)22-10-13-9-21-15(17-13)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3
InChIKey
QECOFOBOCMTVNH-UHFFFAOYSA-N
Synonyms

4((4METHYL5PROPAN2YL124TRIAZOL3YL)SULFANYLMETHYL)2PHENYL13THIAZOLE
4methyl3(((2phenyl13thiazol4yl)methyl)sulfanyl)5(propan2yl)4H124triazole
4METHYL3(METHYLETHYL)5((2PHENYL(13THIAZOL4YL))METHYLTHIO)124TRIAZOLE
CC(C)C1=NN=C(N1C)SCC2=CSC(=N2)C3=CC=CC=C3
InChI=1SC16H18N4S2c111(2)14181916(20(14)3)22101392115(1713)127546812h4911H10H213H3
MFCD03945237
ZINC000005977387
ZINC05977387
ZINC5977387

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Available files

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