Vitas-M small molecule compound
2-{[4-cyclohexyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
Catalog ID
STK278531
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1C1CCCCC1)c1ccncc1
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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 C22H24N4O2S MW 408.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O2S/c1-28-19-9-7-16(8-10-19)20(27)15-29-22-25-24-21(17-11-13-23-14-12-17)26(22)18-5-3-2-4-6-18/h7-14,18H,2-6,15H2,1H3InChIKey
MSPXIXOUYWVJDB-UHFFFAOYSA-NSynonyms
2((4CYCLOHEXYL5(4PYRIDINYL)4H124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2((4cyclohexyl5(pyridin4yl)4H124triazol3yl)sulfanyl)1(4methoxyphenyl)ethanone
2((4cyclohexyl5pyridin4yl124triazol3yl)sulfanyl)1(4methoxyphenyl)ethanone
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=NC=C4
InChI=1SC22H24N4O2Sc128199716(81019)20(27)152922252421(17111323141217)26(22)185324618h71418H2615H21H3
MFCD02573673
ZINC000008297901
ZINC08297901
ZINC8297901
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