Vitas-M small molecule compound
ethyl 4-(4-ethylphenyl)-3'-(4-methoxyphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK733630
SMILES CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccc(cc1)CC)c1ccccc1)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 C33H30N4O3S MW 562.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N4O3S/c1-4-23-15-17-24(18-16-23)30-28-13-9-10-14-29(28)33(36(34-30)25-11-7-6-8-12-25)37(26-19-21-27(39-3)22-20-26)35-31(41-33)32(38)40-5-2/h6-22H,4-5H2,1-3H3InChIKey
XBCCOIKEGBNNRR-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)C2=NN(C3(C4=CC=CC=C42)N(N=C(S3)C(=O)OCC)C5=CC=C(C=C5)OC)C6=CC=CC=C6
ethyl4(4ethylphenyl)3(4methoxyphenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4(4ETHYLPHENYL)4(4METHOXYPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC33H30N4O3Sc1423151724(181623)3028139101429(28)33(36(3430)25117681225)37(26192127(393)222026)3531(4133)32(38)4052h622H45H213H3
MFCD00754977
ZINC000102659665
ZINC000102659667
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