Vitas-M small molecule compound

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

Catalog ID
STK733651
SMILES CC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccccc1)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 C29H21N5O3S MW 519.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N5O3S/c1-20(35)28-31-33(25-18-10-11-19-26(25)34(36)37)29(38-28)24-17-9-8-16-23(24)27(21-12-4-2-5-13-21)30-32(29)22-14-6-3-7-15-22/h2-19H,1H3
InChIKey
UYLMYQFDWWXYKM-UHFFFAOYSA-N
Synonyms
1(3(2nitrophenyl)24diphenyl2H3Hspiro(phthalazine12(134)thiadiazol)5yl)ethanone
1(4(2NITROPHENYL)24DIPHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2YL)ETHANONE
CC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6(N+)(=O)(O)
CC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccccc1)c1ccccc1)c1ccccc1(N+)(=O)(O)
Registry IDs
MFCD01204192
ZINC000009045453
ZINC000009045458

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Available files

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