Vitas-M small molecule compound
N-cyclopentyl-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406147
SMILES CCn1c(nnc1SCC(=O)NC1CCCC1)Cc1ccc2c(c1)OCCCO2
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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 C21H28N4O3S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O3S/c1-2-25-19(13-15-8-9-17-18(12-15)28-11-5-10-27-17)23-24-21(25)29-14-20(26)22-16-6-3-4-7-16/h8-9,12,16H,2-7,10-11,13-14H2,1H3,(H,22,26)InChIKey
PJDBJAQDHAGEIL-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2CCCC2)CC3=CC4=C(C=C3)OCCCO4
InChI=1SC21H28N4O3Sc122519(1315891718(1215)28115102717)232421(25)291420(26)2216634716h891216H2710111314H21H3(H2226)
MFCD30704413
Ncyclopentyl2((5(34dihydro2H15benzodioxepin7ylmethyl)4ethyl124triazol3yl)sulfanyl)acetamide
Ncyclopentyl2((5(34dihydro2H15benzodioxepin7ylmethyl)4ethyl4H124triazol3yl)sulfanyl)acetamide
ZINC000101160954
ZINC101160954
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