Vitas-M small molecule compound
4-(2-bromophenyl)-7-hydroxy-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL314492
SMILES OC1=Nc2c(C(SC1)c1ccccc1Br)c(=O)[nH]n2C(C)C
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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)9-5-3-4-6-10(9)16/h3-6,8,13H,7H2,1-2H3,(H,17,20)(H,18,21)InChIKey
PECYJAQMJFMRBW-UHFFFAOYSA-NSynonyms
1435907-14-41435907144
4(2bromophenyl)1propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(2bromophenyl)7hydroxy1(propan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3Br)C(=O)N1
InChI=1SC15H16BrN3O2Sc18(2)191412(15(21)1819)13(22711(20)1714)9534610(9)16h36813H7H212H3(H1720)(H1821)
MFCD28030744
OC1=Nc2c(C(SC1)c1ccccc1Br)c(=O)(nH)n2C(C)C
ZINC000095476369
ZINC000095476370
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