Vitas-M small molecule compound

4-[3'-(4-methoxyphenyl)-1'-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]-4-oxobutanoic acid

Catalog ID
STK544221
SMILES COc1ccc(cc1)c1nn(cc1C1CC(=NN1C(=O)CCC(=O)O)c1cccs1)c1ccccc1

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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 C27H24N4O4S MW 500.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O4S/c1-35-20-11-9-18(10-12-20)27-21(17-30(29-27)19-6-3-2-4-7-19)23-16-22(24-8-5-15-36-24)28-31(23)25(32)13-14-26(33)34/h2-12,15,17,23H,13-14,16H2,1H3,(H,33,34)
InChIKey
FAVOWBGUXJPYMC-UHFFFAOYSA-N
Synonyms
369393-81-7
369393817
4((3R)3(4METHOXYPHENYL)1PHENYL5(THIOPHEN2YL)34DIHYDRO1H2H34BIPYRAZOL2YL)4OXOBUTANOICACID
4(3(3(4METHOXYPHENYL)1PHENYLPYRAZOL4YL)5THIOPHEN2YL34DIHYDROPYRAZOL2YL)4OXOBUTANOICACID
4(3(4METHOXYPHENYL)1PHENYL5(THIOPHEN2YL)34DIHYDRO1H2H(34BIPYRAZOL)2YL)4OXOBUTANOICACID
4(3(4methoxyphenyl)1phenyl5(thiophen2yl)34dihydro1H2H34bipyrazol2yl)4oxobutanoicacid
4(3(4METHOXYPHENYL)1PHENYL5THIOPHEN2YL34DIHYDRO1H(34)BIPYRAZOLYL2YL)4OXOBUTYRICACID
COC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CS4)C5=CC=CC=C5
InChI=1SC27H24N4O4Sc1352011918(101220)2721(1730(2927)196324719)231622(2485153624)2831(23)25(32)131426(33)34h212151723H131416H21H3(H3334)
MFCD02713003
ZINC000001254245
ZINC000009434104

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Available files

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