Vitas-M small molecule compound
methyl 3'-(2-chlorophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STL004982
SMILES COC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)CC)c1ccccc1)c1ccccc1Cl
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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 C25H21ClN4O2S MW 476.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O2S/c1-3-21-18-13-7-8-14-19(18)25(29(27-21)17-11-5-4-6-12-17)30(22-16-10-9-15-20(22)26)28-23(33-25)24(31)32-2/h4-16H,3H2,1-2H3InChIKey
IGACVGHPVXAYPU-UHFFFAOYSA-NSynonyms
668439-36-9668439369
CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C(=O)OC)C4=CC=CC=C4Cl)C5=CC=CC=C5
InChI=1SC25H21ClN4O2Sc13211813781419(18)25(29(2721)17115461217)30(22161091520(22)26)2823(3325)24(31)322h416H3H212H3
methyl3(2chlorophenyl)4ethyl2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
METHYL4(2CHLOROPHENYL)4ETHYL2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
MFCD03668899
ZINC000009159475
ZINC000009159476
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