Vitas-M small molecule compound

4-(4-methylphenyl)-2-{2-nitro-5-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}phthalazin-1(2H)-one

Catalog ID
STK171902
SMILES Cc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1cccs1

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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 C30H25N5O4S MW 551.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O4S/c1-20-8-10-21(11-9-20)28-23-5-2-3-6-24(23)29(36)34(31-28)26-19-22(12-13-25(26)35(38)39)32-14-16-33(17-15-32)30(37)27-7-4-18-40-27/h2-13,18-19H,14-17H2,1H3
InChIKey
MDJPDSBHRHOTCZ-UHFFFAOYSA-N
Synonyms

4(4METHYLPHENYL)2(2NITRO5(4(THIOPHEN2YLCARBONYL)PIPERAZIN1YL)PHENYL)PHTHALAZIN1(2H)ONE
4(4METHYLPHENYL)2(2NITRO5(4(THIOPHENE2CARBONYL)PIPERAZIN1YL)PHENYL)PHTHALAZIN1ONE
CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC=CS6)(N+)(=O)(O)
Cc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)c1cccs1
InChI=1SC30H25N5O4Sc12081021(11920)2823523624(23)29(36)34(3128)261922(121325(26)35(38)39)32141633(171532)30(37)2774184027h2131819H1417H21H3
MFCD04076897
ZINC000100370702
ZINC100370702

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Available files

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