Vitas-M small molecule compound

N-(4-fluorophenyl)-2-{[4-(2-methylpropyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide

Catalog ID
STK497735
SMILES CC(Cn1c(nnc1c1cccnc1)SC(C(=O)Nc1ccc(cc1)F)C)C

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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 C20H22FN5OS MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN5OS/c1-13(2)12-26-18(15-5-4-10-22-11-15)24-25-20(26)28-14(3)19(27)23-17-8-6-16(21)7-9-17/h4-11,13-14H,12H2,1-3H3,(H,23,27)
InChIKey
VOEDYDXSFZQMGS-UHFFFAOYSA-N
Synonyms

CC(C)CN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)F)C3=CN=CC=C3
InChI=1SC20H22FN5OSc113(2)122618(155410221115)242520(26)2814(3)19(27)23178616(21)7917h4111314H12H213H3(H2327)
MFCD11855078
N(4fluorophenyl)2((4(2methylpropyl)5(pyridin3yl)4H124triazol3yl)sulfanyl)propanamide
N(4fluorophenyl)2((4(2methylpropyl)5pyridin3yl124triazol3yl)sulfanyl)propanamide
ZINC000032579424
ZINC000032579425

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.