Vitas-M small molecule compound
1-(4-ethylphenyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone
Catalog ID
STK927225
SMILES CCc1ccc(cc1)C(=O)CSc1nnc[nH]1
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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 C12H13N3OS MW 247.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3OS/c1-2-9-3-5-10(6-4-9)11(16)7-17-12-13-8-14-15-12/h3-6,8H,2,7H2,1H3,(H,13,14,15)InChIKey
VTOQRQKPOBSELE-UHFFFAOYSA-NSynonyms
332169-79-61(4ETHYLPHENYL)2(1H124TRIAZOL5YLSULFANYL)ETHANONE
1(4ETHYLPHENYL)2(1H124TRIAZOL5YLTHIO)ETHANONE
1(4ETHYLPHENYL)2(4H(124)TRIAZOL3YLSULFANYL)ETHANONE
1(4ethylphenyl)2(4H124triazol3ylsulfanyl)ethanone
332169796
CCC1=CC=C(C=C1)C(=O)CSC2=NC=NN2
CCc1ccc(cc1)C(=O)CSc1nnc(nH)1
InChI=1SC12H13N3OSc1293510(649)11(16)71712138141512h368H27H21H3(H131415)
MFCD02045302
ZINC000004411294
ZINC04411294
ZINC4411294
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