Vitas-M small molecule compound
[4-ethyl-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl](phenyl)methanone
Catalog ID
STL056505
SMILES CCC1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccc(cc1)[N+](=O)[O-])C(=O)c1ccccc1
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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 C30H23N5O3S MW 533.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N5O3S/c1-2-27-25-15-9-10-16-26(25)30(33(31-27)22-13-7-4-8-14-22)34(23-17-19-24(20-18-23)35(37)38)32-29(39-30)28(36)21-11-5-3-6-12-21/h3-20H,2H2,1H3InChIKey
PGNGVMNBMGTXFJ-UHFFFAOYSA-NSynonyms
668439-57-4(4ethyl3(4nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazol)5yl)(phenyl)methanone
(4ETHYL4(4NITROPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2YL)PHENYLMETHANONE
668439574
CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O))C6=CC=CC=C6
CCC1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccc(cc1)(N+)(=O)(O))C(=O)c1ccccc1
InChI=1SC30H23N5O3Sc122725159101626(25)30(33(3127)22137481422)34(23171924(201823)35(37)38)3229(3930)28(36)21115361221h320H2H21H3
MFCD03671441
ZINC000097951892
ZINC000097951893
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