Vitas-M small molecule compound
4-[3-methoxy-4-(2-methylpropoxy)phenyl]-2,6-dihydro-4H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK641635
SMILES COc1cc(ccc1OCC(C)C)C1SCC(=Nc2c1c[nH]n2)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 C17H21N3O3S MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O3S/c1-10(2)8-23-13-5-4-11(6-14(13)22-3)16-12-7-18-20-17(12)19-15(21)9-24-16/h4-7,10,16H,8-9H2,1-3H3,(H2,18,19,20,21)InChIKey
FCQNUXIHQBANTM-UHFFFAOYSA-NSynonyms
1170847-60-51170847605
4(3methoxy4(2methylpropoxy)phenyl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(3methoxy4(2methylpropoxy)phenyl)26dihydro4Hpyrazolo(34e)(14)thiazepin7ol
CC(C)COC1=C(C=C(C=C1)C2C3=CNNC3=NC(=O)CS2)OC
COc1cc(ccc1OCC(C)C)C1SCC(=Nc2c1c(nH)n2)O
InChI=1SC17H21N3O3Sc110(2)823135411(614(13)223)16127182017(12)1915(21)92416h471016H89H213H3(H218192021)
MFCD18162708
ZINC000020724719
ZINC000020724723
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