Vitas-M small molecule compound
N-cyclopentyl-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406081
SMILES O=C(NC1CCCC1)CSc1nnc(n1C(C)C)c1ccc2c(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/c1-14(2)25-20(15-8-9-17-18(12-15)28-11-5-10-27-17)23-24-21(25)29-13-19(26)22-16-6-3-4-7-16/h8-9,12,14,16H,3-7,10-11,13H2,1-2H3,(H,22,26)InChIKey
ZBBGCICHGMFZEX-UHFFFAOYSA-NSynonyms
CC(C)N1C(=NN=C1SCC(=O)NC2CCCC2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC21H28N4O3Sc114(2)2520(15891718(1215)28115102717)232421(25)291319(26)2216634716h89121416H37101113H212H3(H2226)
MFCD15078961
Ncyclopentyl2((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)acetamide
Ncyclopentyl2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)acetamide
ZINC000033087536
ZINC33087536
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