Vitas-M small molecule compound
N-{[5-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Catalog ID
STK245744
SMILES O=C(NC1CCCC1)CSc1nnc(n1CC(C)C)CNC(=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/c1-14(2)12-27-18(11-23-20(29)16-9-5-6-10-17(16)22)25-26-21(27)30-13-19(28)24-15-7-3-4-8-15/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3,(H,23,29)(H,24,28)InChIKey
LNOAMNRJHDLMHV-UHFFFAOYSA-NSynonyms
CC(C)CN1C(=NN=C1SCC(=O)NC2CCCC2)CNC(=O)C3=CC=CC=C3F
InChI=1SC21H28FN5O2Sc114(2)122718(112320(29)169561017(16)22)252621(27)301319(28)2415734815h569101415H34781113H212H3(H2329)(H2428)
MFCD08670446
N((5((2(CYCLOPENTYLAMINO)2OXOETHYL)SULFANYL)4(2METHYLPROPYL)4H124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
N((5(2(cyclopentylamino)2oxoethyl)sulfanyl4(2methylpropyl)124triazol3yl)methyl)2fluorobenzamide
N(5CYCLOPENTYLCARBAMOYLMETHYLSULFANYL4ISOBUTYL4H(124)TRIAZOL3YLMETHYL)2FLUOROBENZAMIDE
ZINC000009327981
ZINC09327981
ZINC9327981
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