Vitas-M small molecule compound
3-methyl-4-[3-(2-methylpropoxy)phenyl]-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK930253
SMILES CC(COc1cccc(c1)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 C17H21N3O2S MW 331.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O2S/c1-10(2)8-22-13-6-4-5-12(7-13)16-15-11(3)19-20-17(15)18-14(21)9-23-16/h4-7,10,16H,8-9H2,1-3H3,(H2,18,19,20,21)InChIKey
JOLYOOHGYDDORY-UHFFFAOYSA-NSynonyms
1232798-76-31232798763
3methyl4(3(2methylpropoxy)phenyl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
3methyl4(3(2methylpropoxy)phenyl)46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
CC(COc1cccc(c1)C1SCC(=Nc2c1c(C)n(nH)2)O)C
CC1=C2C(SCC(=O)N=C2NN1)C3=CC(=CC=C3)OCC(C)C
InChI=1SC17H21N3O2Sc110(2)8221364512(713)161511(3)192017(15)1814(21)92316h471016H89H213H3(H218192021)
MFCD18176593
ZINC000044890914
ZINC000044890917
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