Vitas-M small molecule compound
ethyl 4-(4-chlorophenyl)-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK663388
SMILES CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccc(cc1)Cl)c1ccccc1)c1ccc(cc1)[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 C30H22ClN5O4S MW 584.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22ClN5O4S/c1-2-40-29(37)28-33-35(23-16-18-24(19-17-23)36(38)39)30(41-28)26-11-7-6-10-25(26)27(20-12-14-21(31)15-13-20)32-34(30)22-8-4-3-5-9-22/h3-19H,2H2,1H3InChIKey
ZKQFFQAWPPRKIC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)(N+)(=O)(O)
CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccc(cc1)Cl)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ethyl4(4chlorophenyl)3(4nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4(4CHLOROPHENYL)4(4NITROPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC30H22ClN5O4Sc124029(37)283335(23161824(191723)36(38)39)30(4128)2611761025(26)27(20121421(31)151320)3234(30)228435922h319H2H21H3
MFCD00762114
ZINC000008404542
ZINC000008404549
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