Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Catalog ID
STK230820
SMILES CCn1c(nnc1c1ccc(cc1)F)SC(C(=O)Nc1ccc2c(c1)OCO2)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 C20H19FN4O3S MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19FN4O3S/c1-3-25-18(13-4-6-14(21)7-5-13)23-24-20(25)29-12(2)19(26)22-15-8-9-16-17(10-15)28-11-27-16/h4-10,12H,3,11H2,1-2H3,(H,22,26)InChIKey
OEWFLFSJZHEQKJ-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SC(C)C(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F
InChI=1SC20H19FN4O3Sc132518(134614(21)7513)232420(25)2912(2)19(26)2215891617(1015)28112716h41012H311H212H3(H2226)
MFCD07791623
N(13BENZODIOXOL5YL)2((4ETHYL5(4FLUOROPHENYL)124TRIAZOL3YL)SULFANYL)PROPANAMIDE
N(13benzodioxol5yl)2((4ethyl5(4fluorophenyl)4H124triazol3yl)sulfanyl)propanamide
ZINC000004736225
ZINC000004736226
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