Vitas-M small molecule compound
4-(3-bromophenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL407553
SMILES Brc1cccc(c1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(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 C19H22BrN3O3S MW 452.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22BrN3O3S/c1-19(2)9-13(6-7-26-19)23-17-15(18(25)22-23)16(27-10-14(24)21-17)11-4-3-5-12(20)8-11/h3-5,8,13,16H,6-7,9-10H2,1-2H3,(H,21,24)(H,22,25)InChIKey
VSTPKGBYSHFQLM-UHFFFAOYSA-NSynonyms
1574484-23-31574484233
4(3bromophenyl)1(22dimethyloxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(3bromophenyl)1(22dimethyltetrahydro2Hpyran4yl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
Brc1cccc(c1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)Br)C(=O)N2)C
InChI=1SC19H22BrN3O3Sc119(2)913(672619)231715(18(25)2223)16(271014(24)2117)1143512(20)811h3581316H67910H212H3(H2124)(H2225)
MFCD30704796
ZINC000096117363
ZINC000096117366
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