Vitas-M small molecule compound
N-(5-chloro-2-methylphenyl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406120
SMILES CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1c1ccc2c(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 C22H23ClN4O3S MW 458.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O3S/c1-3-27-21(15-6-8-18-19(11-15)30-10-4-9-29-18)25-26-22(27)31-13-20(28)24-17-12-16(23)7-5-14(17)2/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,24,28)InChIKey
NREPIKXIDBLNDD-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)C)C3=CC4=C(C=C3)OCCCO4
InChI=1SC22H23ClN4O3Sc132721(15681819(1115)3010492918)252622(27)311320(28)24171216(23)7514(17)2h581112H3491013H212H3(H2428)
MFCD27221254
N(5chloro2methylphenyl)2((5(34dihydro2H15benzodioxepin7yl)4ethyl124triazol3yl)sulfanyl)acetamide
N(5chloro2methylphenyl)2((5(34dihydro2H15benzodioxepin7yl)4ethyl4H124triazol3yl)sulfanyl)acetamide
ZINC000064987263
ZINC64987263
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