Vitas-M small molecule compound
(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK586891
SMILES CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1
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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 C33H31N3O6S2 MW 629.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O6S2/c1-2-3-7-15-40-24-12-8-11-22(18-24)28-27(29(37)23-13-14-25-26(19-23)42-17-16-41-25)30(38)31(39)36(28)32-34-35-33(44-32)43-20-21-9-5-4-6-10-21/h4-6,8-14,18-19,28,37H,2-3,7,15-17,20H2,1H3/b29-27+InChIKey
TYYVOUWXXDTTBI-ORIPQNMZSA-NSynonyms
620573-91-3(4E)1(5(benzylsulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3(pentyloxy)phenyl)pyrrolidine23dione
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
620573913
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1
InChI=1SC33H31N3O6S2c12371540241281122(1824)2827(29(37)2313142526(1923)4217164125)30(38)31(39)36(28)32343533(4432)43202195461021h4681418192837H237151720H21H3b2927+
MFCD07202009
ZINC000102600587
ZINC000102600592
Check stock
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Check stock on Vitas-MAvailable files
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