Vitas-M small molecule compound
4-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK934323
SMILES Fc1ccc(cc1)n1nc(c(c1C)C1SCC(=Nc2c1c(C)n[nH]2)O)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 C18H18FN5OS MW 371.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18FN5OS/c1-9-16-17(26-8-14(25)20-18(16)22-21-9)15-10(2)23-24(11(15)3)13-6-4-12(19)5-7-13/h4-7,17H,8H2,1-3H3,(H2,20,21,22,25)InChIKey
GMUPJMGPRGVMFM-UHFFFAOYSA-NSynonyms
1224160-82-01224160820
4(1(4fluorophenyl)35dimethyl1Hpyrazol4yl)3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
4(1(4fluorophenyl)35dimethylpyrazol4yl)3methyl24dihydro1Hpyrazolo(34e)(14)thiazepin7one
CC1=C2C(SCC(=O)N=C2NN1)C3=C(N(N=C3C)C4=CC=C(C=C4)F)C
Fc1ccc(cc1)n1nc(c(c1C)C1SCC(=Nc2c1c(C)n(nH)2)O)C
InChI=1SC18H18FN5OSc191617(26814(25)2018(16)22219)1510(2)2324(11(15)3)136412(19)5713h4717H8H213H3(H220212225)
MFCD18177764
ZINC000044900658
ZINC000044900660
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