Vitas-M small molecule compound

4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol

Catalog ID
STK939495
SMILES COc1ccc(cc1)c1n[nH]cc1C1SCC(=Nc2c1c(C)n[nH]2)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 C17H17N5O2S MW 355.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O2S/c1-9-14-16(25-8-13(23)19-17(14)22-20-9)12-7-18-21-15(12)10-3-5-11(24-2)6-4-10/h3-7,16H,8H2,1-2H3,(H,18,21)(H2,19,20,22,23)
InChIKey
FAYMJQRNPJUWJX-UHFFFAOYSA-N
Synonyms
1224155-00-3
1224155003
4(3(4methoxyphenyl)1Hpyrazol4yl)3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
4(5(4methoxyphenyl)1Hpyrazol4yl)3methyl24dihydro1Hpyrazolo(34e)(14)thiazepin7one
CC1=C2C(SCC(=O)N=C2NN1)C3=C(NN=C3)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1n(nH)cc1C1SCC(=Nc2c1c(C)n(nH)2)O
InChI=1SC17H17N5O2Sc191416(25813(23)1917(14)22209)127182115(12)103511(242)6410h3716H8H212H3(H1821)(H219202223)
MFCD18179277
ZINC000044917355
ZINC000044917360

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Available files

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