Vitas-M small molecule compound
4-methyl-5'-(4-nitrophenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]
Catalog ID
STK865593
SMILES CC1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccccc1)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 C28H21N5O2S MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O2S/c1-20-25-14-8-9-15-26(25)28(31(29-20)22-10-4-2-5-11-22)32(23-12-6-3-7-13-23)30-27(36-28)21-16-18-24(19-17-21)33(34)35/h2-19H,1H3InChIKey
XLSSRPLBQGTYMQ-UHFFFAOYSA-NSynonyms
4methyl5(4nitrophenyl)23diphenyl2H3Hspiro(phthalazine12(134)thiadiazole)
4METHYL5(4NITROPHENYL)23DIPHENYLSPIRO(134THIADIAZOLE21PHTHALAZINE)
CC1=NN(C2(C3=CC=CC=C13)N(N=C(S2)C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5)C6=CC=CC=C6
CC1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC28H21N5O2Sc1202514891526(25)28(31(2920)22104251122)32(23126371323)3027(3628)21161824(191721)33(34)35h219H1H3
MFCD01246689
ZINC000009046323
ZINC000009046324
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