Vitas-M small molecule compound
3-hydroxy-4-[4-(pentyloxy)phenyl]-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STL236506
SMILES CCCCCOc1ccc(cc1)C1SCC(=O)Nc2c1c(O)nn2C(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 C20H27N3O3S MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3S/c1-4-5-6-11-26-15-9-7-14(8-10-15)18-17-19(21-16(24)12-27-18)23(13(2)3)22-20(17)25/h7-10,13,18H,4-6,11-12H2,1-3H3,(H,21,24)(H,22,25)InChIKey
FWONXBXDDJZNKB-UHFFFAOYSA-NSynonyms
797764-53-5(4R)4(4(PENTYLOXY)PHENYL)1(PROPAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
3hydroxy1isopropyl4(4(pentyloxy)phenyl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
3hydroxy4(4(pentyloxy)phenyl)1(propan2yl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
4(4PENTOXYPHENYL)1PROPAN2YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
797764535
CCCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C(C)C
InChI=1SC20H27N3O3Sc14561126159714(81015)181719(2116(24)122718)23(13(2)3)2220(17)25h7101318H461112H213H3(H2124)(H2225)
MFCD03664280
ZINC000005735317
ZINC000005735338
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