Vitas-M small molecule compound

N-cyclohexyl-2-{[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK152837
SMILES COc1cccc2c1oc(c2)c1nnc(n1CC)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 C21H26N4O3S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S/c1-3-25-20(17-12-14-8-7-11-16(27-2)19(14)28-17)23-24-21(25)29-13-18(26)22-15-9-5-4-6-10-15/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3,(H,22,26)
InChIKey
KOXXLTFEQSOBHX-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC21H26N4O3Sc132520(171214871116(272)19(14)2817)232421(25)291318(26)221595461015h78111215H3691013H212H3(H2226)
MFCD06010530
NCYCLOHEXYL2((4ETHYL5(7METHOXY1BENZOFURAN2YL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
NCYCLOHEXYL2((4ETHYL5(7METHOXY1BENZOFURAN2YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
NCYCLOHEXYL2(4ETHYL5(7METHOXYBENZOFURAN2YL)4H(124)TRIAZOL3YLSULFANYL)ACETAMIDE
ZINC000000813724
ZINC00813724
ZINC813724

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Available files

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