Vitas-M small molecule compound
4-(4-bromophenyl)-1-(octan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione
Catalog ID
STL492848
SMILES CCCCCCC(n1[nH]c(=O)c2c1NC(=O)CSC2c1ccc(cc1)Br)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 C20H26BrN3O2S MW 452.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26BrN3O2S/c1-3-4-5-6-7-13(2)24-19-17(20(26)23-24)18(27-12-16(25)22-19)14-8-10-15(21)11-9-14/h8-11,13,18H,3-7,12H2,1-2H3,(H,22,25)(H,23,26)InChIKey
OSVMSWUEFJVHMO-UHFFFAOYSA-NSynonyms
714920-49-74(4BROMOPHENYL)1(OCTAN2YL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
4(4bromophenyl)1(octan2yl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
4(4BROMOPHENYL)1OCTAN2YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
714920497
CCCCCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)Br)C(=O)N1
CCCCCCC(n1(nH)c(=O)c2c1NC(=O)CSC2c1ccc(cc1)Br)C
InChI=1SC20H26BrN3O2Sc13456713(2)241917(20(26)2324)18(271216(25)2219)1481015(21)11914h8111318H3712H212H3(H2225)(H2326)
MFCD30715402
ZINC000002605585
ZINC000002605588
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