Vitas-M small molecule compound

2-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone

Catalog ID
STK804086
SMILES Cn1c(SCC(=O)c2ccccc2)nnc1c1ccc2c(c1)OCO2

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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 C18H15N3O3S MW 353.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O3S/c1-21-17(13-7-8-15-16(9-13)24-11-23-15)19-20-18(21)25-10-14(22)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKey
VXRQHZSPCUPAIF-UHFFFAOYSA-N
Synonyms

2((5(13BENZODIOXOL5YL)4METHYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5(13benzodioxol5yl)4methyl4H124triazol3yl)sulfanyl)1phenylethanone
2(5(2HBENZO(34D)13DIOXOLAN5YL)4METHYL(124TRIAZOL3YLTHIO))1PHENYLETHAN1ONE
CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4
InChI=1SC18H15N3O3Sc12117(13781516(913)24112315)192018(21)251014(22)125324612h29H1011H21H3
MFCD03621242
ZINC000000730200
ZINC00730200
ZINC730200

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Available files

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