Vitas-M small molecule compound
methyl 4-(7-hydroxy-2,6-dihydro-4H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate
Catalog ID
STK639005
SMILES COC(=O)c1ccc(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 C14H13N3O3S MW 303.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O3S/c1-20-14(19)9-4-2-8(3-5-9)12-10-6-15-17-13(10)16-11(18)7-21-12/h2-6,12H,7H2,1H3,(H2,15,16,17,18)InChIKey
LWJADARKRKJDRJ-UHFFFAOYSA-NSynonyms
1170065-04-91170065049
COC(=O)C1=CC=C(C=C1)C2C3=CNNC3=NC(=O)CS2
COC(=O)c1ccc(cc1)C1SCC(=Nc2c1c(nH)n2)O
InChI=1SC14H13N3O3Sc12014(19)9428(359)12106151713(10)1611(18)72112h2612H7H21H3(H215161718)
methyl4(7hydroxy26dihydro4Hpyrazolo(34e)(14)thiazepin4yl)benzoate
methyl4(7oxo24dihydro1Hpyrazolo(34e)(14)thiazepin4yl)benzoate
MFCD18161863
ZINC000020725845
ZINC000020725850
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