Vitas-M small molecule compound
4-{(4Z)-4-[(4-bromophenyl)imino]-2-thioxo-1,3-diazaspiro[4.5]dec-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK045393
SMILES Brc1ccc(cc1)/N=C/1\NC(=S)N(C21CCCCC2)c1c(C)n(n(c1=O)c1ccccc1)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 C25H26BrN5OS MW 524.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrN5OS/c1-17-21(22(32)31(29(17)2)20-9-5-3-6-10-20)30-24(33)28-23(25(30)15-7-4-8-16-25)27-19-13-11-18(26)12-14-19/h3,5-6,9-14H,4,7-8,15-16H2,1-2H3,(H,27,28,33)InChIKey
PIFXVIRKHCCLAQ-UHFFFAOYSA-NSynonyms
5839-64-54((4Z)4((4BROMOPHENYL)IMINO)2THIOXO13DIAZASPIRO(45)DEC1YL)15DIMETHYL2PHENYL12DIHYDRO3HPYRAZOL3ONE
4(1(4BROMOANILINO)3SULFANYLIDENE24DIAZASPIRO(45)DEC1EN4YL)15DIMETHYL2PHENYLPYRAZOL3ONE
4(4((4BROMOPHENYL)IMINO)2THIOXO13DIAZASPIRO(45)DEC1YL)15DIMETHYL2PHENYL12DIHYDRO3HPYRAZOL3ONE
4(4(4bromoanilino)2sulfanylidene13diazaspiro(45)dec3en1yl)15dimethyl2phenylpyrazol3one
5839645
Brc1ccc(cc1)N=C1NC(=S)N(C21CCCCC2)c1c(C)n(n(c1=O)c1ccccc1)C
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=S)N=C(C34CCCCC4)NC5=CC=C(C=C5)Br
InChI=1SC25H26BrN5OSc11721(22(32)31(29(17)2)2095361020)3024(33)2823(25(30)157481625)2719131118(26)121419h356914H4781516H212H3(H272833)
MFCD02945203
STK045393
ZINC000008445556
ZINC08445556
ZINC8445556
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