Vitas-M small molecule compound

4-(4-chlorophenyl)-2-(5-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-2-nitrophenyl)phthalazin-1(2H)-one

Catalog ID
STK175349
SMILES Clc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl

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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 C30H23Cl2N5O5S MW 636.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23Cl2N5O5S/c31-21-7-5-20(6-8-21)29-25-3-1-2-4-26(25)30(38)36(33-29)28-19-23(11-14-27(28)37(39)40)34-15-17-35(18-16-34)43(41,42)24-12-9-22(32)10-13-24/h1-14,19H,15-18H2
InChIKey
KFTCYKRVWBKJQT-UHFFFAOYSA-N
Synonyms

4(4CHLOROPHENYL)2(5(4((4CHLOROPHENYL)SULFONYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1(2H)ONE
4(4CHLOROPHENYL)2(5(4(4CHLOROPHENYL)SULFONYLPIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1ONE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl)S(=O)(=O)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl
InChI=1SC30H23Cl2N5O5Sc31217520(6821)2925312426(25)30(38)36(3329)281923(111427(28)37(39)40)34151735(181634)43(4142)2412922(32)101324h11419H1518H2
MFCD04074542
ZINC000150346398
ZINC150346398

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Available files

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