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-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK599839
SMILES C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C32H27N3O6S2 MW 613.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N3O6S2/c1-3-13-39-23-6-4-5-21(16-23)27-26(28(36)22-11-12-24-25(17-22)41-15-14-40-24)29(37)30(38)35(27)31-33-34-32(43-31)42-18-20-9-7-19(2)8-10-20/h3-12,16-17,27,36H,1,13-15,18H2,2H3/b28-26+InChIKey
LREGSNNFTZKAQQ-BYCLXTJYSA-NSynonyms
620574-84-7(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5(3(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
620574847
C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
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)OCC=C
InChI=1SC32H27N3O6S2c1313392364521(1623)2726(28(36)2211122425(1722)4115144024)29(37)30(38)35(27)31333432(4331)4218209719(2)81020h31216172736H1131518H22H3b2826+
MFCD07200897
ZINC000101316817
ZINC000101316818
Check stock
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Check stock on Vitas-MAvailable files
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