Vitas-M small molecule compound
4-(3-methoxyphenyl)-2,6-dihydro-4H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK644734
SMILES COc1cccc(c1)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 C13H13N3O2S MW 275.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O2S/c1-18-9-4-2-3-8(5-9)12-10-6-14-16-13(10)15-11(17)7-19-12/h2-6,12H,7H2,1H3,(H2,14,15,16,17)InChIKey
LPQGBUXWDJXOQX-UHFFFAOYSA-NSynonyms
1172470-62-01172470620
4(3methoxyphenyl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(3methoxyphenyl)26dihydro4Hpyrazolo(34e)(14)thiazepin7ol
COC1=CC=CC(=C1)C2C3=CNNC3=NC(=O)CS2
COc1cccc(c1)C1SCC(=Nc2c1c(nH)n2)O
InChI=1SC13H13N3O2Sc11894238(59)12106141613(10)1511(17)71912h2612H7H21H3(H214151617)
MFCD18163711
ZINC000020730385
ZINC000020730389
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