Vitas-M small molecule compound

1-[4-(4-ethylphenyl)-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone

Catalog ID
STK548487
SMILES CCc1ccc(cc1)C1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccc(cc1)[N+](=O)[O-])C(=O)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/c1-3-22-13-15-23(16-14-22)29-27-11-7-8-12-28(27)31(34(32-29)24-9-5-4-6-10-24)35(33-30(40-31)21(2)37)25-17-19-26(20-18-25)36(38)39/h4-20H,3H2,1-2H3
InChIKey
YXSIGIQRMZXNDN-UHFFFAOYSA-N
Synonyms
375364-14-0
1(4(4ethylphenyl)3(4nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazol)5yl)ethanone
1(4(4ETHYLPHENYL)4(4NITROPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2YL)ETHANONE
375364140
CCC1=CC=C(C=C1)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
CCc1ccc(cc1)C1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccc(cc1)(N+)(=O)(O))C(=O)C
InChI=1SC31H25N5O3Sc1322131523(161422)292711781228(27)31(34(3229)2495461024)35(3330(4031)21(2)37)25171926(201825)36(38)39h420H3H212H3
MFCD00754955
ZINC000097951825
ZINC000097951826

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Available files

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