Vitas-M small molecule compound
4-(4-chlorophenyl)-2-{5-[(2-hydroxyethyl)sulfanyl]-2-nitrophenyl}phthalazin-1(2H)-one
Catalog ID
STK206058
SMILES OCCSc1ccc(c(c1)n1nc(c2ccc(cc2)Cl)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 C22H16ClN3O4S MW 453.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O4S/c23-15-7-5-14(6-8-15)21-17-3-1-2-4-18(17)22(28)25(24-21)20-13-16(31-12-11-27)9-10-19(20)26(29)30/h1-10,13,27H,11-12H2InChIKey
PYWGEOOZBNJCJC-UHFFFAOYSA-NSynonyms
4(4CHLOROPHENYL)2(5((2HYDROXYETHYL)SULFANYL)2NITROPHENYL)PHTHALAZIN1(2H)ONE
4(4chlorophenyl)2(5(2hydroxyethylsulfanyl)2nitrophenyl)phthalazin1one
C1=CC=C2C(=C1)C(=NN(C2=O)C3=C(C=CC(=C3)SCCO)(N+)(=O)(O))C4=CC=C(C=C4)Cl
InChI=1SC22H16ClN3O4Sc23157514(6815)2117312418(17)22(28)25(2421)201316(31121127)91019(20)26(29)30h1101327H1112H2
MFCD06666771
OCCSc1ccc(c(c1)n1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2)(N+)(=O)(O)
ZINC000009971855
ZINC09971855
ZINC9971855
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