Vitas-M small molecule compound

4-(4-bromophenyl)-3-hydroxy-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one

Catalog ID
STK629635
SMILES O=C1CSC(c2c(N1)n(nc2O)C(C)C)c1ccc(cc1)Br

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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 C15H16BrN3O2S MW 382.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16BrN3O2S/c1-8(2)19-14-12(15(21)18-19)13(22-7-11(20)17-14)9-3-5-10(16)6-4-9/h3-6,8,13H,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKey
AOECKCWGYHRVJH-UHFFFAOYSA-N
Synonyms
797795-74-5
(4R)4(4BROMOPHENYL)1(PROPAN2YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(4BROMOPHENYL)1PROPAN2YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(4bromophenyl)3hydroxy1(propan2yl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
4(4bromophenyl)3hydroxy1isopropyl68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
797795745
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)Br)C(=O)N1
InChI=1SC15H16BrN3O2Sc18(2)191412(15(21)1819)13(22711(20)1714)93510(16)649h36813H7H212H3(H1720)(H1821)
MFCD03666830
ZINC000005690182
ZINC000005690185

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Available files

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