Vitas-M small molecule compound
3-hydroxy-4-(4-methylphenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK780424
SMILES O=C1CSC(c2c(N1)n(nc2O)C(C)C)c1ccc(cc1)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 C16H19N3O2S MW 317.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O2S/c1-9(2)19-15-13(16(21)18-19)14(22-8-12(20)17-15)11-6-4-10(3)5-7-11/h4-7,9,14H,8H2,1-3H3,(H,17,20)(H,18,21)InChIKey
AXQPLMMFXJDNTC-UHFFFAOYSA-NSynonyms
579446-67-63hydroxy1isopropyl4(ptolyl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
3hydroxy4(4methylphenyl)1(propan2yl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
MFCD04034485
ZINC000017723791
ZINC000018157089
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