Vitas-M small molecule compound
4-(5-bromothiophen-2-yl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione
Catalog ID
STL493767
SMILES O=C1CSC(c2c(N1)n([nH]c2=O)C(C)C)c1ccc(s1)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 C13H14BrN3O2S2 MW 388.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14BrN3O2S2/c1-6(2)17-12-10(13(19)16-17)11(20-5-9(18)15-12)7-3-4-8(14)21-7/h3-4,6,11H,5H2,1-2H3,(H,15,18)(H,16,19)InChIKey
ZMRQBTLKFXFKEO-UHFFFAOYSA-NSynonyms
1401541-44-34(5BROMOTHIOPHEN2YL)1(PROPAN2YL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
4(5bromothiophen2yl)1(propan2yl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
4(5bromothiophen2yl)1propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(S3)Br)C(=O)N1
InChI=1SC13H14BrN3O2S2c16(2)171210(13(19)1617)11(2059(18)1512)7348(14)217h34611H5H212H3(H1518)(H1619)
MFCD30715986
O=C1CSC(c2c(N1)n((nH)c2=O)C(C)C)c1ccc(s1)Br
ZINC000079476300
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