Vitas-M small molecule compound

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

Catalog ID
STK186630
SMILES O=C(NC1CCCCC1)CSc1nnc(n1C)C(NC(=O)c1ccc(cc1)Cl)C

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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 C20H26ClN5O2S MW 435.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26ClN5O2S/c1-13(22-19(28)14-8-10-15(21)11-9-14)18-24-25-20(26(18)2)29-12-17(27)23-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3,(H,22,28)(H,23,27)
InChIKey
KNXHOZVUSBBFSM-UHFFFAOYSA-N
Synonyms

4CHLORON(1(5((2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4CHLORON(1(5(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC(C1=NN=C(N1C)SCC(=O)NC2CCCCC2)NC(=O)C3=CC=C(C=C3)Cl
InChI=1SC20H26ClN5O2Sc113(2219(28)1481015(21)11914)18242520(26(18)2)291217(27)23166435716h8111316H3712H212H3(H2228)(H2327)
MFCD06010548
ZINC000000813770
ZINC000000813771

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Available files

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