Vitas-M small molecule compound
methyl 4-methyl-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK769036
SMILES COC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)C)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 C24H19N5O4S MW 473.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N5O4S/c1-16-20-10-6-7-11-21(20)24(27(25-16)17-8-4-3-5-9-17)28(26-22(34-24)23(30)33-2)18-12-14-19(15-13-18)29(31)32/h3-15H,1-2H3InChIKey
XOIIBHMUAGRWHD-UHFFFAOYSA-NSynonyms
CC1=NN(C2(C3=CC=CC=C13)N(N=C(S2)C(=O)OC)C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5
COC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)C)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC24H19N5O4Sc1162010671121(20)24(27(2516)178435917)28(2622(3424)23(30)332)18121419(151318)29(31)32h315H12H3
methyl4methyl3(4nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
METHYL4METHYL4(4NITROPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
MFCD03196771
ZINC000008867673
ZINC000008867676
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