Vitas-M small molecule compound
1-[3'-(4-nitrophenyl)-2,4-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
Catalog ID
STK733649
SMILES CC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccccc1)c1ccccc1)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 C29H21N5O3S MW 519.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N5O3S/c1-20(35)28-31-33(23-16-18-24(19-17-23)34(36)37)29(38-28)26-15-9-8-14-25(26)27(21-10-4-2-5-11-21)30-32(29)22-12-6-3-7-13-22/h2-19H,1H3InChIKey
JNQHBFUMZTVGBB-UHFFFAOYSA-NSynonyms
1(3(4nitrophenyl)24diphenyl2H3Hspiro(phthalazine12(134)thiadiazol)5yl)ethanone
1(4(4NITROPHENYL)24DIPHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2YL)ETHANONE
CC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)(N+)(=O)(O)
CC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC29H21N5O3Sc120(35)283133(23161824(191723)34(36)37)29(3828)2615981425(26)27(21104251121)3032(29)22126371322h219H1H3
MFCD01204191
ZINC000008407441
ZINC000008407444
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