Vitas-M small molecule compound

4-(6-bromo-4H-1,3-benzodioxin-8-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol

Catalog ID
STL317571
SMILES Brc1cc(c2c(c1)COCO2)C1SCC(=Nc2c1cn[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 C14H12BrN3O3S MW 382.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12BrN3O3S/c15-8-1-7-4-20-6-21-12(7)9(2-8)13-10-3-16-18-14(10)17-11(19)5-22-13/h1-3,13H,4-6H2,(H2,16,17,18,19)
InChIKey
SEXDFRWZOXTZNQ-UHFFFAOYSA-N
Synonyms
1401575-81-2
1401575812
4(6bromo4H13benzodioxin8yl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(6bromo4H13benzodioxin8yl)46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
Brc1cc(c2c(c1)COCO2)C1SCC(=Nc2c1cn(nH)2)O
C1C2=CC(=CC(=C2OCO1)C3C4=CNNC4=NC(=O)CS3)Br
InChI=1SC14H12BrN3O3Sc1581742062112(7)9(28)13103161814(10)1711(19)52213h1313H46H2(H216171819)
MFCD28028460
ZINC000079496145
ZINC000079496148

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Available files

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