Vitas-M small molecule compound
N-[1-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK116685
SMILES CCn1c(SCC(=O)NC2CCCCC2)nnc1C(NC(=O)c1ccccc1)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 C21H29N5O2S MW 415.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O2S/c1-3-26-19(15(2)22-20(28)16-10-6-4-7-11-16)24-25-21(26)29-14-18(27)23-17-12-8-5-9-13-17/h4,6-7,10-11,15,17H,3,5,8-9,12-14H2,1-2H3,(H,22,28)(H,23,27)InChIKey
WNWTXZNUQPVJFX-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C(C)NC(=O)C3=CC=CC=C3
InChI=1SC21H29N5O2Sc132619(15(2)2220(28)16106471116)242521(26)291418(27)2317128591317h46710111517H35891214H212H3(H2228)(H2327)
MFCD03865176
N(1(5((2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N(1(5(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
ZINC000000661086
ZINC000000661088
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