Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Catalog ID
STL415916
SMILES CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1Cc1ccc2c(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/c1-2-27-23(13-16-4-6-19-21(12-16)30-9-3-8-29-19)25-26-24(27)33-15-18(28)17-5-7-20-22(14-17)32-11-10-31-20/h4-7,12,14H,2-3,8-11,13,15H2,1H3InChIKey
NVMPHGLURHNAAE-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7ylmethyl)4ethyl124triazol3yl)sulfanyl)1(23dihydro14benzodioxin6yl)ethanone
2((5(34dihydro2H15benzodioxepin7ylmethyl)4ethyl4H124triazol3yl)sulfanyl)1(23dihydro14benzodioxin6yl)ethanone
CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC5=C(C=C4)OCCCO5
InChI=1SC24H25N3O5Sc122723(1316461921(1216)309382919)252624(27)331518(28)17572022(1417)3211103120h471214H238111315H21H3
MFCD30706878
ZINC000101161007
ZINC101161007
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