Vitas-M small molecule compound
(4E)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK572126
SMILES CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)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 C36H35Cl2N3O6S2 MW 740.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H35Cl2N3O6S2/c1-5-45-29-16-21(7-11-28(29)46-13-12-19(2)3)31-30(32(42)22-8-10-27-24(15-22)14-20(4)47-27)33(43)34(44)41(31)35-39-40-36(49-35)48-18-23-6-9-25(37)17-26(23)38/h6-11,15-17,19-20,31,42H,5,12-14,18H2,1-4H3/b32-30+InChIKey
GBPUHCCXKPGCJX-NHQGMKOOSA-NSynonyms
897835-82-4(4E)1(5((24dichlorobenzyl)sulfanyl)134thiadiazol2yl)5(3ethoxy4(3methylbutoxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(5((24dichlorophenyl)methylsulfanyl)134thiadiazol2yl)5(3ethoxy4(3methylbutoxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
897835824
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=C(C=C(C=C6)Cl)Cl)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC36H35Cl2N3O6S2c1545291621(71128(29)46131219(2)3)3130(32(42)228102724(1522)1420(4)4727)33(43)34(44)41(31)35394036(4935)4818236925(37)1726(23)38h611151719203142H5121418H214H3b3230+
MFCD07197900
ZINC000150424758
ZINC000150424778
Check stock
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