Vitas-M small molecule compound

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

Catalog ID
STK218385
SMILES COc1ccc(cc1)C(=O)NCc1nnc(n1CC)SCC(=O)N(C1CCCCC1)C1CCCCC1

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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 C27H39N5O3S MW 513.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39N5O3S/c1-3-31-24(18-28-26(34)20-14-16-23(35-2)17-15-20)29-30-27(31)36-19-25(33)32(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h14-17,21-22H,3-13,18-19H2,1-2H3,(H,28,34)
InChIKey
WFRMFPFOQILSCO-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)CNC(=O)C4=CC=C(C=C4)OC
InChI=1SC27H39N5O3Sc133124(182826(34)20141623(352)171520)293027(31)361925(33)32(21106471121)22128591322h14172122H3131819H212H3(H2834)
MFCD04375909
N((5((2(DICYCLOHEXYLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
N((5(2(DICYCLOHEXYLAMINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
ZINC000009261256
ZINC09261256
ZINC9261256

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Available files

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