Vitas-M small molecule compound
ethyl 2,3'-diphenyl-4-[4-(propan-2-yl)phenyl]-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK760028
SMILES CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccc(cc1)C(C)C)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 C33H30N4O2S MW 546.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N4O2S/c1-4-39-32(38)31-35-37(27-15-9-6-10-16-27)33(40-31)29-18-12-11-17-28(29)30(25-21-19-24(20-22-25)23(2)3)34-36(33)26-13-7-5-8-14-26/h5-23H,4H2,1-3H3InChIKey
QQNHRCGEDPWMBB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=C(C=C5)C(C)C)C6=CC=CC=C6
ethyl23diphenyl4(4(propan2yl)phenyl)2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL24DIPHENYL4(4PROPAN2YLPHENYL)SPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
ethyl4(4isopropylphenyl)23diphenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
InChI=1SC33H30N4O2Sc143932(38)313537(271596101627)33(4031)291812111728(29)30(25211924(202225)23(2)3)3436(33)26137581426h523H4H213H3
MFCD00754965
ZINC000097950455
ZINC000097950456
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