Vitas-M small molecule compound
4-(3-chloro-4-hydroxyphenyl)-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
STL407881
SMILES OC1=Nc2c(C(SC1)c1ccc(c(c1)Cl)O)c(=O)[nH]n2C1CCOC(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 C19H22ClN3O4S MW 423.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN3O4S/c1-19(2)8-11(5-6-27-19)23-17-15(18(26)22-23)16(28-9-14(25)21-17)10-3-4-13(24)12(20)7-10/h3-4,7,11,16,24H,5-6,8-9H2,1-2H3,(H,21,25)(H,22,26)InChIKey
PFBBIGUWCWSLAT-UHFFFAOYSA-NSynonyms
1574346-43-21574346432
4(3chloro4hydroxyphenyl)1(22dimethyloxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(3chloro4hydroxyphenyl)1(22dimethyltetrahydro2Hpyran4yl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC(=C(C=C4)O)Cl)C(=O)N2)C
InChI=1SC19H22ClN3O4Sc119(2)811(562719)231715(18(26)2223)16(28914(25)2117)103413(24)12(20)710h347111624H5689H212H3(H2125)(H2226)
MFCD30704951
OC1=Nc2c(C(SC1)c1ccc(c(c1)Cl)O)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000096232803
ZINC000096232806
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