Vitas-M small molecule compound

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

Catalog ID
STK807650
SMILES COc1ccc(cc1)C(Sc1[nH]nc(n1)c1ccc(cc1)F)CC(=O)NCc1ccco1

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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 C23H21FN4O3S MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN4O3S/c1-30-18-10-6-15(7-11-18)20(13-21(29)25-14-19-3-2-12-31-19)32-23-26-22(27-28-23)16-4-8-17(24)9-5-16/h2-12,20H,13-14H2,1H3,(H,25,29)(H,26,27,28)
InChIKey
KMYCKTLFFJVJNP-UHFFFAOYSA-N
Synonyms
690248-70-5
3((3(4fluorophenyl)1H124triazol5yl)sulfanyl)N(furan2ylmethyl)3(4methoxyphenyl)propanamide
3((3(4FLUOROPHENYL)1H124TRIAZOL5YL)THIO)N(FURAN2YLMETHYL)3(4METHOXYPHENYL)PROPANAMIDE
3((5(4FLUOROPHENYL)1H124TRIAZOL3YL)SULFANYL)N(FURAN2YLMETHYL)3(4METHOXYPHENYL)PROPANAMIDE
3(3(4FLUOROPHENYL)(1H124TRIAZOL5YLTHIO))N(2FURYLMETHYL)3(4METHOXYPHENYL)PROPANAMIDE
690248705
COC1=CC=C(C=C1)C(CC(=O)NCC2=CC=CO2)SC3=NNC(=N3)C4=CC=C(C=C4)F
COc1ccc(cc1)C(Sc1(nH)nc(n1)c1ccc(cc1)F)CC(=O)NCc1ccco1
InChI=1SC23H21FN4O3Sc1301810615(71118)20(1321(29)25141932123119)32232622(272823)164817(24)9516h21220H1314H21H3(H2529)(H262728)
MFCD05719007
ZINC000012176576
ZINC000012176581

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Available files

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