Vitas-M small molecule compound
4-(7-hydroxy-2,6-dihydro-4H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzonitrile
Catalog ID
STK642120
SMILES N#Cc1ccc(cc1)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 C13H10N4OS MW 270.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N4OS/c14-5-8-1-3-9(4-2-8)12-10-6-15-17-13(10)16-11(18)7-19-12/h1-4,6,12H,7H2,(H2,15,16,17,18)InChIKey
PLNLGFREJLFPHN-UHFFFAOYSA-NSynonyms
1170648-93-71170648937
4(7hydroxy26dihydro4Hpyrazolo(34e)(14)thiazepin4yl)benzonitrile
4(7oxo24dihydro1Hpyrazolo(34e)(14)thiazepin4yl)benzonitrile
C1C(=O)N=C2C(=CNN2)C(S1)C3=CC=C(C=C3)C#N
InChI=1SC13H10N4OSc1458139(428)12106151713(10)1611(18)71912h14612H7H2(H215161718)
MFCD18162874
N#Cc1ccc(cc1)C1SCC(=Nc2c1c(nH)n2)O
ZINC000020739548
ZINC000020739551
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