Vitas-M small molecule compound
ethyl 4-ethyl-3'-(4-methoxyphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK999073
SMILES CCOC(=O)C1=NN(C2(S1)c1ccccc1C(=NN2c1ccccc1)CC)c1ccc(cc1)OC
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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 C27H26N4O3S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S/c1-4-24-22-13-9-10-14-23(22)27(30(28-24)19-11-7-6-8-12-19)31(20-15-17-21(33-3)18-16-20)29-25(35-27)26(32)34-5-2/h6-18H,4-5H2,1-3H3InChIKey
NBSSBMYZHQTQOK-UHFFFAOYSA-NSynonyms
668439-47-2668439472
CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C(=O)OCC)C4=CC=C(C=C4)OC)C5=CC=CC=C5
ethyl4ethyl3(4methoxyphenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4ETHYL4(4METHOXYPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC27H26N4O3Sc142422139101423(22)27(30(2824)19117681219)31(20151721(333)181620)2925(3527)26(32)3452h618H45H213H3
MFCD03672555
ZINC000009011702
ZINC000009011703
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