Vitas-M small molecule compound

2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

Catalog ID
STL406024
SMILES COc1cccc(c1)NC(=O)CSc1nnc(n1C)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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-25-20(14-7-8-17-18(11-14)29-10-4-9-28-17)23-24-21(25)30-13-19(26)22-15-5-3-6-16(12-15)27-2/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,22,26)
InChIKey
QGAHFJNXCJKPPW-UHFFFAOYSA-N
Synonyms

2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)N(3methoxyphenyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)N(3methoxyphenyl)acetamide
CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)C3=CC4=C(C=C3)OCCCO4
InChI=1SC21H22N4O4Sc12520(14781718(1114)2910492817)232421(25)301319(26)221553616(1215)272h3581112H491013H212H3(H2226)
MFCD15078919
ZINC000033087499
ZINC33087499

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Available files

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