Vitas-M small molecule compound

(4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione

Catalog ID
STL053023
SMILES COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)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 C30H24ClN3O5S2 MW 606.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24ClN3O5S2/c1-16-13-20-14-19(7-12-23(20)39-16)26(35)24-25(18-5-10-22(38-2)11-6-18)34(28(37)27(24)36)29-32-33-30(41-29)40-15-17-3-8-21(31)9-4-17/h3-12,14,16,25,35H,13,15H2,1-2H3/b26-24+
InChIKey
HCGBABHEXWJFNQ-SHHOIMCASA-N
Synonyms
893698-17-4
(4E)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(4methoxyphenyl)pyrrolidine23dione
(4E)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
893698174
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC)O
COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC30H24ClN3O5S2c11613201419(71223(20)3916)26(35)2425(1851022(382)11618)34(28(37)27(24)36)29323330(4129)4015173821(31)9417h31214162535H1315H212H3b2624+
MFCD05733200
ZINC000102891188
ZINC000102891198

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Available files

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