Vitas-M small molecule compound
7-hydroxy-1-(propan-2-yl)-4-(4-propoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STK563899
SMILES CCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(C)C)O
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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 C18H23N3O3S MW 361.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3O3S/c1-4-9-24-13-7-5-12(6-8-13)16-15-17(19-14(22)10-25-16)21(11(2)3)20-18(15)23/h5-8,11,16H,4,9-10H2,1-3H3,(H,19,22)(H,20,23)InChIKey
SPGOCVIMUAHYKV-UHFFFAOYSA-NSynonyms
578720-53-31PROPAN2YL4(4PROPOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
578720533
7hydroxy1(propan2yl)4(4propoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C(C)C
CCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C(C)C)O
InChI=1SC18H23N3O3Sc14924137512(6813)161517(1914(22)102516)21(11(2)3)2018(15)23h581116H4910H213H3(H1922)(H2023)
MFCD04078524
ZINC000006073272
ZINC000006073295
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