Vitas-M small molecule compound
1-(3,4-dimethylphenyl)-2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STL406133
SMILES COc1cc2OCCCOc2cc1c1nnc(n1C)SCC(=O)c1ccc(c(c1)C)C
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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 C23H25N3O4S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O4S/c1-14-6-7-16(10-15(14)2)18(27)13-31-23-25-24-22(26(23)3)17-11-20-21(12-19(17)28-4)30-9-5-8-29-20/h6-7,10-12H,5,8-9,13H2,1-4H3InChIKey
QJOARGOFQWQJQP-UHFFFAOYSA-NSynonyms
1(34dimethylphenyl)2((5(7methoxy34dihydro2H15benzodioxepin8yl)4methyl124triazol3yl)sulfanyl)ethanone
1(34dimethylphenyl)2((5(8methoxy34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)ethanone
CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC4=C(C=C3OC)OCCCO4)C
InChI=1SC23H25N3O4Sc1146716(1015(14)2)18(27)133123252422(26(23)3)17112021(1219(17)284)309582920h671012H58913H214H3
MFCD27221205
ZINC000064987216
ZINC64987216
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