Vitas-M small molecule compound
1-[4-(2,5-dimethylphenyl)-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
Catalog ID
STK663398
SMILES Cc1ccc(c(c1)C1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccc(cc1)[N+](=O)[O-])C(=O)C)C
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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 C31H25N5O3S MW 547.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N5O3S/c1-20-13-14-21(2)27(19-20)29-26-11-7-8-12-28(26)31(34(32-29)23-9-5-4-6-10-23)35(33-30(40-31)22(3)37)24-15-17-25(18-16-24)36(38)39/h4-19H,1-3H3InChIKey
CISJKYBSEAYNPJ-UHFFFAOYSA-NSynonyms
1(4(25dimethylphenyl)3(4nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazol)5yl)ethanone
1(4(25DIMETHYLPHENYL)4(4NITROPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2YL)ETHANONE
CC1=CC(=C(C=C1)C)C2=NN(C3(C4=CC=CC=C42)N(N=C(S3)C(=O)C)C5=CC=C(C=C5)(N+)(=O)(O))C6=CC=CC=C6
Cc1ccc(c(c1)C1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccc(cc1)(N+)(=O)(O))C(=O)C)C
InChI=1SC31H25N5O3Sc120131421(2)27(1920)292611781228(26)31(34(3229)2395461023)35(3330(4031)22(3)37)24151725(181624)36(38)39h419H13H3
MFCD01572299
ZINC000098002719
ZINC000098002720
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