Vitas-M small molecule compound

ethyl 4-(4-chlorophenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

Catalog ID
STK733636
SMILES CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccc(cc1)Cl)c1ccccc1)c1ccccc1

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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 C30H23ClN4O2S MW 539.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23ClN4O2S/c1-2-37-29(36)28-33-35(24-13-7-4-8-14-24)30(38-28)26-16-10-9-15-25(26)27(21-17-19-22(31)20-18-21)32-34(30)23-11-5-3-6-12-23/h3-20H,2H2,1H3
InChIKey
SFMITKODGVUCIJ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C6=CC=CC=C6
ethyl4(4chlorophenyl)23diphenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4(4CHLOROPHENYL)24DIPHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC30H23ClN4O2Sc123729(36)283335(24137481424)30(3828)26161091525(26)27(21171922(31)201821)3234(30)23115361223h320H2H21H3
MFCD00762113
ZINC000097950460
ZINC000097950461

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Available files

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