Vitas-M small molecule compound

2-(5-{4-[(4-methoxyphenyl)carbonyl]piperazin-1-yl}-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1(2H)-one

Catalog ID
STK175366
SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccc(cc2)C)c2c(c1=O)cccc2)[N+](=O)[O-]

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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 C33H29N5O5 MW 575.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N5O5/c1-22-7-9-23(10-8-22)31-27-5-3-4-6-28(27)33(40)37(34-31)30-21-25(13-16-29(30)38(41)42)35-17-19-36(20-18-35)32(39)24-11-14-26(43-2)15-12-24/h3-16,21H,17-20H2,1-2H3
InChIKey
RQLWYVWTTJQDGA-UHFFFAOYSA-N
Synonyms

2(5(4((4METHOXYPHENYL)CARBONYL)PIPERAZIN1YL)2NITROPHENYL)4(4METHYLPHENYL)PHTHALAZIN1(2H)ONE
2(5(4(4METHOXYBENZOYL)PIPERAZIN1YL)2NITROPHENYL)4(4METHYLPHENYL)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=C(C=C6)OC)(N+)(=O)(O)
COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccc(cc2)C)c2c(c1=O)cccc2)(N+)(=O)(O)
InChI=1SC33H29N5O5c1227923(10822)3127534628(27)33(40)37(3431)302125(131629(30)38(41)42)35171936(201835)32(39)24111426(432)151224h31621H1720H212H3
MFCD04080451
ZINC000029492437
ZINC29492437

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Available files

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