Vitas-M small molecule compound
4-(3-bromophenyl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK929615
SMILES Brc1cccc(c1)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 C13H12BrN3OS MW 338.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12BrN3OS/c1-7-11-12(8-3-2-4-9(14)5-8)19-6-10(18)15-13(11)17-16-7/h2-5,12H,6H2,1H3,(H2,15,16,17,18)InChIKey
YVFYRNCCCLLBTJ-UHFFFAOYSA-NSynonyms
1030121-72-21030121722
4(3bromophenyl)3methyl24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(3bromophenyl)3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
Brc1cccc(c1)C1SCC(=Nc2c1c(C)n(nH)2)O
CC1=C2C(SCC(=O)N=C2NN1)C3=CC(=CC=C3)Br
InChI=1SC13H12BrN3OSc171112(83249(14)58)19610(18)1513(11)17167h2512H6H21H3(H215161718)
MFCD18176410
ZINC000021525072
ZINC000021525074
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