Vitas-M small molecule compound
4-(7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzonitrile
Catalog ID
STK931449
SMILES N#Cc1ccc(cc1)C1SCC(=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 C14H12N4OS MW 284.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4OS/c1-8-12-13(10-4-2-9(6-15)3-5-10)20-7-11(19)16-14(12)18-17-8/h2-5,13H,7H2,1H3,(H2,16,17,18,19)InChIKey
RXUMQEYMXVTRKX-UHFFFAOYSA-NSynonyms
1224170-07-31224170073
4(3methyl7oxo24dihydro1Hpyrazolo(34e)(14)thiazepin4yl)benzonitrile
4(7hydroxy3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin4yl)benzonitrile
CC1=C2C(SCC(=O)N=C2NN1)C3=CC=C(C=C3)C#N
InChI=1SC14H12N4OSc181213(10429(615)3510)20711(19)1614(12)18178h2513H7H21H3(H216171819)
MFCD18176954
N#Cc1ccc(cc1)C1SCC(=Nc2c1c(C)n(nH)2)O
ZINC000044891988
ZINC000044891990
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