Vitas-M small molecule compound

2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Catalog ID
STL406108
SMILES O=C(c1ccc2c(c1)OCCO2)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 C24H25N3O5S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O5S/c1-15(2)27-23(17-5-7-19-22(13-17)30-9-3-8-29-19)25-26-24(27)33-14-18(28)16-4-6-20-21(12-16)32-11-10-31-20/h4-7,12-13,15H,3,8-11,14H2,1-2H3
InChIKey
CJDKLCZADFLYJB-UHFFFAOYSA-N
Synonyms

2((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)1(23dihydro14benzodioxin6yl)ethanone
2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)1(23dihydro14benzodioxin6yl)ethanone
CC(C)N1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC5=C(C=C4)OCCCO5
InChI=1SC24H25N3O5Sc115(2)2723(17571922(1317)309382919)252624(27)331418(28)16462021(1216)3211103120h47121315H381114H212H3
MFCD27220697
ZINC000021723327
ZINC21723327

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Available files

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