Vitas-M small molecule compound
N-[4-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]propanamide
Catalog ID
STK115136
SMILES CCC(=O)Nc1ccc(cc1)c1nnc(n1C)SCC(=O)NC1CCCCC1
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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 C20H27N5O2S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O2S/c1-3-17(26)21-16-11-9-14(10-12-16)19-23-24-20(25(19)2)28-13-18(27)22-15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H,21,26)(H,22,27)InChIKey
XKCDXNDYLOVSMO-UHFFFAOYSA-NSynonyms
CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3CCCCC3
InChI=1SC20H27N5O2Sc1317(26)211611914(101216)19232420(25(19)2)281318(27)22157546815h91215H3813H212H3(H2126)(H2227)
MFCD03490029
N(4(5((2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)PHENYL)PROPANAMIDE
N(4(5(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)PHENYL)PROPANAMIDE
ZINC000002825665
ZINC02825665
ZINC2825665
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