Vitas-M small molecule compound

N-{[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide

Catalog ID
STK139583
SMILES CCn1c(SCC(=O)NC2CCCCC2C)nnc1CNC(=O)c1ccccc1F

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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 C21H28FN5O2S MW 433.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28FN5O2S/c1-3-27-18(12-23-20(29)15-9-5-6-10-16(15)22)25-26-21(27)30-13-19(28)24-17-11-7-4-8-14(17)2/h5-6,9-10,14,17H,3-4,7-8,11-13H2,1-2H3,(H,23,29)(H,24,28)
InChIKey
ZEIJXIDTYIXOAH-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2CCCCC2C)CNC(=O)C3=CC=CC=C3F
InChI=1SC21H28FN5O2Sc132718(122320(29)159561016(15)22)252621(27)301319(28)24171174814(17)2h569101417H34781113H212H3(H2329)(H2428)
MFCD04399780
N((4ETHYL5((2((2METHYLCYCLOHEXYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
N((4ETHYL5(2((2METHYLCYCLOHEXYL)AMINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
ZINC000000813738
ZINC000000813742

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Available files

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