Vitas-M small molecule compound
ethyl 4-ethyl-3'-(4-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STL006371
SMILES CCOC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)CC)c1ccc(cc1)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 C27H26N4O2S MW 470.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O2S/c1-4-24-22-13-9-10-14-23(22)27(30(28-24)20-11-7-6-8-12-20)31(21-17-15-19(3)16-18-21)29-25(34-27)26(32)33-5-2/h6-18H,4-5H2,1-3H3InChIKey
ADOJYSZLMLWXAQ-UHFFFAOYSA-NSynonyms
668439-45-0668439450
CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C(=O)OCC)C4=CC=C(C=C4)C)C5=CC=CC=C5
ethyl4ethyl2phenyl3(ptolyl)2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ethyl4ethyl3(4methylphenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4ETHYL4(4METHYLPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC27H26N4O2Sc142422139101423(22)27(30(2824)20117681220)31(21171519(3)161821)2925(3427)26(32)3352h618H45H213H3
MFCD03670481
ZINC000009075389
ZINC000013658406
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