Vitas-M small molecule compound
2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Catalog ID
STL406095
SMILES O=C(c1ccc2c(c1)OCCO2)CSc1nnc(n1C1CC1)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 C24H23N3O5S MW 465.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O5S/c28-18(15-2-6-20-21(12-15)32-11-10-31-20)14-33-24-26-25-23(27(24)17-4-5-17)16-3-7-19-22(13-16)30-9-1-8-29-19/h2-3,6-7,12-13,17H,1,4-5,8-11,14H2InChIKey
XQPZXWPEGNPTJK-UHFFFAOYSA-NSynonyms
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)1(23dihydro14benzodioxin6yl)ethanone
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)1(23dihydro14benzodioxin6yl)ethanone
C1COC2=C(C=C(C=C2)C3=NN=C(N3C4CC4)SCC(=O)C5=CC6=C(C=C5)OCCO6)OC1
InChI=1SC24H23N3O5Sc2818(15262021(1215)3211103120)143324262523(27(24)174517)16371922(1316)309182919h2367121317H14581114H2
MFCD27221307
ZINC000035511665
ZINC35511665
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