Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL057374
SMILES CCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O
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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 C33H31N3O5S2 MW 613.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O5S2/c1-4-14-40-25-7-5-6-22(17-25)28-27(29(37)23-12-13-26-24(16-23)15-20(3)41-26)30(38)31(39)36(28)32-34-35-33(43-32)42-18-21-10-8-19(2)9-11-21/h5-13,16-17,20,28,37H,4,14-15,18H2,1-3H3/b29-27+InChIKey
SAEVUAAUPQMQLK-ORIPQNMZSA-NSynonyms
893698-56-1(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5(3propoxyphenyl)pyrrolidine23dione
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
893698561
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)C
CCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC33H31N3O5S2c1414402575622(1725)2827(29(37)2312132624(1623)1520(3)4126)30(38)31(39)36(28)32343533(4332)42182110819(2)91121h5131617202837H4141518H213H3b2927+
MFCD05734763
ZINC000102899467
ZINC000102899474
Check stock
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Check stock on Vitas-MAvailable files
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