Vitas-M small molecule compound

(4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-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
STK590836
SMILES CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1Cl

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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 C33H30ClN3O6S2 MW 664.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClN3O6S2/c1-2-3-6-14-41-23-10-7-9-20(17-23)28-27(29(38)21-12-13-25-26(18-21)43-16-15-42-25)30(39)31(40)37(28)32-35-36-33(45-32)44-19-22-8-4-5-11-24(22)34/h4-5,7-13,17-18,28,38H,2-3,6,14-16,19H2,1H3/b29-27+
InChIKey
ZUPKBPIDNWZANI-ORIPQNMZSA-N
Synonyms
620576-18-3
(4E)1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3(pentyloxy)phenyl)pyrrolidine23dione
(4E)1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
620576183
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6Cl
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1Cl
InChI=1SC33H30ClN3O6S2c1236144123107920(1723)2827(29(38)2112132526(1821)4316154225)30(39)31(40)37(28)32353633(4532)4419228451124(22)34h4571317182838H236141619H21H3b2927+
MFCD07199559
ZINC000150481334
ZINC000150481335

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Available files

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