Vitas-M small molecule compound

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

Catalog ID
STK756033
SMILES CCc1ccc(cc1)C1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1cccc(c1)Cl)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 C31H25ClN4OS MW 537.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25ClN4OS/c1-3-22-16-18-23(19-17-22)29-27-14-7-8-15-28(27)31(35(33-29)25-11-5-4-6-12-25)36(34-30(38-31)21(2)37)26-13-9-10-24(32)20-26/h4-20H,3H2,1-2H3
InChIKey
RVBQWNLGJVGKPV-UHFFFAOYSA-N
Synonyms

1(3(3CHLOROPHENYL)4(4ETHYLPHENYL)2PHENYL2H3HSPIRO(PHTHALAZINE12(134)THIADIAZOL)5YL)ETHANONE
1(4(3CHLOROPHENYL)4(4ETHYLPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2YL)ETHANONE
CCC1=CC=C(C=C1)C2=NN(C3(C4=CC=CC=C42)N(N=C(S3)C(=O)C)C5=CC(=CC=C5)Cl)C6=CC=CC=C6
InChI=1SC31H25ClN4OSc1322161823(191722)292714781528(27)31(35(3329)25115461225)36(3430(3831)21(2)37)261391024(32)2026h420H3H212H3
MFCD00754946
ZINC000097950471
ZINC000097950472

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Available files

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