Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK578972
SMILES CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O)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 C34H33N3O6S2 MW 643.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N3O6S2/c1-20(2)13-14-41-25-6-4-5-23(17-25)29-28(30(38)24-11-12-26-27(18-24)43-16-15-42-26)31(39)32(40)37(29)33-35-36-34(45-33)44-19-22-9-7-21(3)8-10-22/h4-12,17-18,20,29,38H,13-16,19H2,1-3H3/b30-28+InChIKey
KIYSKAQPCKRGKO-SJCQXOIGSA-NSynonyms
620575-09-9(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5(3(3methylbutoxy)phenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3(3METHYLBUTOXY)PHENYL)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
620575099
CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O)C
CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=CC=C6)OCCC(C)C
InChI=1SC34H33N3O6S2c120(2)1314412564523(1725)2928(30(38)2411122627(1824)4316154226)31(39)32(40)37(29)33353634(4533)4419229721(3)81022h4121718202938H131619H213H3b3028+
MFCD07202540
ZINC000150470210
ZINC000150470213
Check stock
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Check stock on Vitas-MAvailable files
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