Vitas-M small molecule compound
2-{2-nitro-5-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}-4-phenylphthalazin-1(2H)-one
Catalog ID
STK175341
SMILES [O-][N+](=O)c1ccc(cc1n1nc(c2ccccc2)c2c(c1=O)cccc2)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 C29H23N5O4S MW 537.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O4S/c35-28-23-10-5-4-9-22(23)27(20-7-2-1-3-8-20)30-33(28)25-19-21(12-13-24(25)34(37)38)31-14-16-32(17-15-31)29(36)26-11-6-18-39-26/h1-13,18-19H,14-17H2InChIKey
VZDPHHLCHSFIBJ-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1n1nc(c2ccccc2)c2c(c1=O)cccc2)N1CCN(CC1)C(=O)c1cccs1
2(2NITRO5(4(THIOPHEN2YLCARBONYL)PIPERAZIN1YL)PHENYL)4PHENYLPHTHALAZIN1(2H)ONE
2(2NITRO5(4(THIOPHENE2CARBONYL)PIPERAZIN1YL)PHENYL)4PHENYLPHTHALAZIN1ONE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C(=O)C6=CC=CS6
InChI=1SC29H23N5O4Sc3528231054922(23)27(207213820)3033(28)251921(121324(25)34(37)38)31141632(171531)29(36)26116183926h1131819H1417H2
MFCD04074711
ZINC000059596617
ZINC59596617
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