Vitas-M small molecule compound
2-({5-[4-(1H-benzimidazol-2-yl)butyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone
Catalog ID
STK665190
SMILES O=C(c1ccccc1)CSc1nnc(n1c1ccccc1)CCCCc1nc2c([nH]1)cccc2
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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 C27H25N5OS MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5OS/c33-24(20-11-3-1-4-12-20)19-34-27-31-30-26(32(27)21-13-5-2-6-14-21)18-10-9-17-25-28-22-15-7-8-16-23(22)29-25/h1-8,11-16H,9-10,17-19H2,(H,28,29)InChIKey
YRBPIQJMLSHZBS-UHFFFAOYSA-NSynonyms
2((5(4(1HBENZIMIDAZOL2YL)BUTYL)4PHENYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5(4(1Hbenzimidazol2yl)butyl)4phenyl4H124triazol3yl)sulfanyl)1phenylethanone
C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCCC4=NC5=CC=CC=C5N4
InChI=1SC27H25N5OSc3324(20113141220)193427313026(32(27)21135261421)181091725282215781623(22)2925h181116H9101719H2(H2829)
MFCD08142316
O=C(c1ccccc1)CSc1nnc(n1c1ccccc1)CCCCc1nc2c((nH)1)cccc2
ZINC000012375872
ZINC12375872
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