Vitas-M small molecule compound
ethyl 4-ethyl-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STL042088
SMILES CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)CC)c1ccccc1)c1ccccc1[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 C26H23N5O4S MW 501.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O4S/c1-3-21-19-14-8-9-15-20(19)26(29(27-21)18-12-6-5-7-13-18)30(28-24(36-26)25(32)35-4-2)22-16-10-11-17-23(22)31(33)34/h5-17H,3-4H2,1-2H3InChIKey
LVCGDTNAKZQUFN-UHFFFAOYSA-NSynonyms
668439-52-9668439529
CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C(=O)OCC)C4=CC=CC=C4(N+)(=O)(O))C5=CC=CC=C5
CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)CC)c1ccccc1)c1ccccc1(N+)(=O)(O)
ethyl4ethyl3(2nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4ETHYL4(2NITROPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC26H23N5O4Sc13211914891520(19)26(29(2721)18126571318)30(2824(3626)25(32)3542)221610111723(22)31(33)34h517H34H212H3
MFCD03670186
ZINC000009075342
ZINC000009075343
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