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-phenylethanone
Catalog ID
STL406097
SMILES O=C(c1ccccc1)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 C22H21N3O3S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S/c26-18(15-5-2-1-3-6-15)14-29-22-24-23-21(25(22)17-8-9-17)16-7-10-19-20(13-16)28-12-4-11-27-19/h1-3,5-7,10,13,17H,4,8-9,11-12,14H2InChIKey
WFQWFTSHADPXFZ-UHFFFAOYSA-NSynonyms
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)1phenylethanone
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)1phenylethanone
C1COC2=C(C=C(C=C2)C3=NN=C(N3C4CC4)SCC(=O)C5=CC=CC=C5)OC1
InChI=1SC22H21N3O3Sc2618(155213615)142922242321(25(22)178917)167101920(1316)28124112719h1357101317H489111214H2
MFCD27221202
ZINC000064987213
ZINC64987213
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