Vitas-M small molecule compound

ethyl 3'-(4-bromophenyl)-2-phenyl-4-[4-(propan-2-yl)phenyl]-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

Catalog ID
STK733629
SMILES CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccc(cc1)C(C)C)c1ccccc1)c1ccc(cc1)Br

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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 C33H29BrN4O2S MW 625.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29BrN4O2S/c1-4-40-32(39)31-36-38(27-20-18-25(34)19-21-27)33(41-31)29-13-9-8-12-28(29)30(24-16-14-23(15-17-24)22(2)3)35-37(33)26-10-6-5-7-11-26/h5-22H,4H2,1-3H3
InChIKey
CYOCCMZCKTVERL-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=C(C=C5)C(C)C)C6=CC=C(C=C6)Br
ethyl3(4bromophenyl)2phenyl4(4(propan2yl)phenyl)2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL3(4BROMOPHENYL)4(4(1METHYLETHYL)PHENYL)2PHENYL2H3HSPIRO(PHTHALAZINE12(134)THIADIAZOLE)5CARBOXYLATE
ethyl3(4bromophenyl)4(4isopropylphenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4(4BROMOPHENYL)2PHENYL4(4PROPAN2YLPHENYL)SPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC33H29BrN4O2Sc144032(39)313638(27201825(34)192127)33(4131)2913981228(29)30(24161423(151724)22(2)3)3537(33)26106571126h522H4H213H3
MFCD00754971
ZINC000102659658
ZINC000102659660

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Available files

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