Vitas-M small molecule compound
2-fluoro-N-[1-(4-methyl-5-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK221856
SMILES O=C(NC12CC3CC(C2)CC(C1)C3)CSc1nnc(n1C)C(NC(=O)c1ccccc1F)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 C24H30FN5O2S MW 471.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30FN5O2S/c1-14(26-22(32)18-5-3-4-6-19(18)25)21-28-29-23(30(21)2)33-13-20(31)27-24-10-15-7-16(11-24)9-17(8-15)12-24/h3-6,14-17H,7-13H2,1-2H3,(H,26,32)(H,27,31)InChIKey
VMSNGQWAVVWWDX-UHFFFAOYSA-NSynonyms
2fluoroN(1(4methyl5((2oxo2(tricyclo(3311~37~)dec1ylamino)ethyl)sulfanyl)4H124triazol3yl)ethyl)benzamide
CC(C1=NN=C(N1C)SCC(=O)NC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=CC=C5F
InChI=1SC24H30FN5O2Sc114(2622(32)18534619(18)25)21282923(30(21)2)331320(31)27241015716(1124)917(815)1224h361417H713H212H3(H2632)(H2731)
MFCD07398843
N(1(5(2(1ADAMANTYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000009302346
ZINC000009302347
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