Vitas-M small molecule compound
N-[2-(5-{[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide
Catalog ID
STK297429
SMILES CC(C(=O)NC1CCCCC1)Sc1nnc(n1C)CCNC(=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(19(28)24-15-8-4-3-5-9-15)30-21-26-25-18(27(21)2)12-13-23-20(29)16-10-6-7-11-17(16)22/h6-7,10-11,14-15H,3-5,8-9,12-13H2,1-2H3,(H,23,29)(H,24,28)InChIKey
RIIQKUMKUQTEEL-UHFFFAOYSA-NSynonyms
CC(C(=O)NC1CCCCC1)SC2=NN=C(N2C)CCNC(=O)C3=CC=CC=C3F
InChI=1SC21H28FN5O2Sc114(19(28)24158435915)3021262518(27(21)2)12132320(29)1610671117(16)22h6710111415H35891213H212H3(H2329)(H2428)
MFCD09961000
N(2(5((1(cyclohexylamino)1oxopropan2yl)sulfanyl)4methyl4H124triazol3yl)ethyl)2fluorobenzamide
N(2(5(1(cyclohexylamino)1oxopropan2yl)sulfanyl4methyl124triazol3yl)ethyl)2fluorobenzamide
N(2(5(1CYCLOHEXYLCARBAMOYLETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000013956433
ZINC000013956436
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