Vitas-M small molecule compound
2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)butanamide
Catalog ID
STK124496
SMILES CCC(C(=O)Nc1ccc(cc1)Br)Sc1nnc(n1CC)c1ccc(cc1)N
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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 C20H22BrN5OS MW 460.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrN5OS/c1-3-17(19(27)23-16-11-7-14(21)8-12-16)28-20-25-24-18(26(20)4-2)13-5-9-15(22)10-6-13/h5-12,17H,3-4,22H2,1-2H3,(H,23,27)InChIKey
OKOPHTPCAWALRG-UHFFFAOYSA-NSynonyms
2((5(4AMINOPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N(4BROMOPHENYL)BUTANAMIDE
2((5(4AMINOPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N(4BROMOPHENYL)BUTANAMIDE
CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2CC)C3=CC=C(C=C3)N
InChI=1SC20H22BrN5OSc1317(19(27)231611714(21)81216)2820252418(26(20)42)135915(22)10613h51217H3422H212H3(H2327)
MFCD04366723
ZINC000009805919
ZINC000009805920
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