Vitas-M small molecule compound

4,4'-[(3-nitrophenyl)methanediyl]bis{2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one}

Catalog ID
STK084975
SMILES CC1=NN(C(=O)C1C(C1C(=NN(C1=O)c1scc(n1)c1ccccc1O)C)c1cccc(c1)[N+](=O)[O-])c1scc(n1)c1ccccc1O

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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 C33H25N7O6S2 MW 679.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25N7O6S2/c1-17-27(30(43)38(36-17)32-34-23(15-47-32)21-10-3-5-12-25(21)41)29(19-8-7-9-20(14-19)40(45)46)28-18(2)37-39(31(28)44)33-35-24(16-48-33)22-11-4-6-13-26(22)42/h3-16,27-29,41-42H,1-2H3
InChIKey
RQAQYGIIOXPHEP-UHFFFAOYSA-N
Synonyms

2(4(2HYDROXYPHENYL)13THIAZOL2YL)4((1(4(2HYDROXYPHENYL)13THIAZOL2YL)3METHYL5OXO4HPYRAZOL4YL)(3NITROPHENYL)METHYL)5METHYL4HPYRAZOL3ONE
4((3NITROPHENYL)(1(4(2HYDROXYPHENYL)13THIAZOL2YL)3METHYL5OXO45DIHYDRO1HPYRAZOL4YL)METHYL)2(4(2HYDROXYPHENYL)13THIAZOL2YL)5METHYL24DIHYDRO3HPYRAZOL3ONE
44((3NITROPHENYL)METHANEDIYL)BIS(2(4(2HYDROXYPHENYL)13THIAZOL2YL)5METHYL24DIHYDRO3HPYRAZOL3ONE)
CC1=NN(C(=O)C1C(C1C(=NN(C1=O)c1scc(n1)c1ccccc1O)C)c1cccc(c1)(N+)(=O)(O))c1scc(n1)c1ccccc1O
CC1=NN(C(=O)C1C(C2C(=NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4O)C)C5=CC(=CC=C5)(N+)(=O)(O))C6=NC(=CS6)C7=CC=CC=C7O
InChI=1SC33H25N7O6S2c11727(30(43)38(3617)323423(154732)2110351225(21)41)29(1987920(1419)40(45)46)2818(2)3739(31(28)44)333524(164833)2211461326(22)42h31627294142H12H3
MFCD01180085
STK084975
ZINC000150340237
ZINC000239403206

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Available files

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