Vitas-M small molecule compound
N-(4-chlorophenyl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL415863
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)Cl)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 C21H21ClN4O3S MW 444.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O3S/c1-2-26-20(14-4-9-17-18(12-14)29-11-3-10-28-17)24-25-21(26)30-13-19(27)23-16-7-5-15(22)6-8-16/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,27)InChIKey
BRCNHIBDRMMTQV-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCCCO4
InChI=1SC21H21ClN4O3Sc122620(14491718(1214)29113102817)242521(26)301319(27)23167515(22)6816h4912H23101113H21H3(H2327)
MFCD15078952
N(4chlorophenyl)2((5(34dihydro2H15benzodioxepin7yl)4ethyl124triazol3yl)sulfanyl)acetamide
N(4chlorophenyl)2((5(34dihydro2H15benzodioxepin7yl)4ethyl4H124triazol3yl)sulfanyl)acetamide
ZINC000033087529
ZINC33087529
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