Vitas-M small molecule compound
2-({5-[(2E)-2-(4-ethoxybenzylidene)hydrazinyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(tricyclo[3.3.1.1~3,7~]dec-2-yl)ethanone
Catalog ID
STL168476
SMILES CCOc1ccc(cc1)/C=N/Nc1nnc([nH]1)SCC(=O)C1C2CC3CC1CC(C2)C3
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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 C23H29N5O2S MW 439.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O2S/c1-2-30-19-5-3-14(4-6-19)12-24-26-22-25-23(28-27-22)31-13-20(29)21-17-8-15-7-16(10-17)11-18(21)9-15/h3-6,12,15-18,21H,2,7-11,13H2,1H3,(H2,25,26,27,28)/b24-12+InChIKey
YXYANOXDVKIAOJ-WYMPLXKRSA-NSynonyms
827595-43-71(2adamantyl)2((5((2E)2((4ethoxyphenyl)methylidene)hydrazinyl)1H124triazol3yl)sulfanyl)ethanone
2((5((2E)2(4ethoxybenzylidene)hydrazinyl)4H124triazol3yl)sulfanyl)1(tricyclo(3311~37~)dec2yl)ethanone
827595437
CCOC1=CC=C(C=C1)C=NNC2=NC(=NN2)SCC(=O)C3C4CC5CC(C4)CC3C5
CCOc1ccc(cc1)C=NNc1nnc((nH)1)SCC(=O)C1C2CC3CC1CC(C2)C3
InChI=1SC23H29N5O2Sc1230195314(4619)122426222523(282722)311320(29)2117815716(1017)1118(21)915h3612151821H271113H21H3(H225262728)b2412+
ZINC000020608312
ZINC35669544
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