Vitas-M small molecule compound
N-cyclopentyl-2-[(4-ethyl-5-{2-[(2-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide
Catalog ID
STK297752
SMILES CCn1c(nnc1SC(C(=O)NC1CCCC1)C)CC(=O)Nc1ccccc1C
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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 C21H29N5O2S MW 415.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O2S/c1-4-26-18(13-19(27)23-17-12-8-5-9-14(17)2)24-25-21(26)29-15(3)20(28)22-16-10-6-7-11-16/h5,8-9,12,15-16H,4,6-7,10-11,13H2,1-3H3,(H,22,28)(H,23,27)InChIKey
OAVIYFRWADUSKG-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SC(C)C(=O)NC2CCCC2)CC(=O)NC3=CC=CC=C3C
InChI=1SC21H29N5O2Sc142618(1319(27)23171285914(17)2)242521(26)2915(3)20(28)221610671116h589121516H467101113H213H3(H2228)(H2327)
MFCD09961146
Ncyclopentyl2((4ethyl5(2((2methylphenyl)amino)2oxoethyl)4H124triazol3yl)sulfanyl)propanamide
Ncyclopentyl2((4ethyl5(2(2methylanilino)2oxoethyl)124triazol3yl)sulfanyl)propanamide
ZINC000013956659
ZINC000013956661
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