Vitas-M small molecule compound
4-ethyl-3'-(4-nitrophenyl)-2,5'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]
Catalog ID
STK999212
SMILES CCC1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccc(cc1)[N+](=O)[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 C29H23N5O2S MW 505.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O2S/c1-2-27-25-15-9-10-16-26(25)29(32(30-27)22-13-7-4-8-14-22)33(23-17-19-24(20-18-23)34(35)36)31-28(37-29)21-11-5-3-6-12-21/h3-20H,2H2,1H3InChIKey
JMGJZHQSMADYME-UHFFFAOYSA-NSynonyms
668439-15-44ethyl3(4nitrophenyl)25diphenyl2H3Hspiro(phthalazine12(134)thiadiazole)
4ETHYL3(4NITROPHENYL)25DIPHENYLSPIRO(134THIADIAZOLE21PHTHALAZINE)
668439154
CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)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))c1ccccc1
InChI=1SC29H23N5O2Sc122725159101626(25)29(32(3027)22137481422)33(23171924(201823)34(35)36)3128(3729)21115361221h320H2H21H3
MFCD03668961
ZINC000013648053
ZINC000013648056
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