Vitas-M small molecule compound

(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(pentyloxy)phenyl]pyrrolidine-2,3-dione

Catalog ID
STL042667
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC

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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 C35H36N2O8S MW 644.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N2O8S/c1-4-7-8-15-43-25-13-9-21(18-27(25)42-6-3)31-30(32(38)22-10-14-26-28(19-22)45-17-16-44-26)33(39)34(40)37(31)35-36-24-12-11-23(41-5-2)20-29(24)46-35/h9-14,18-20,31,38H,4-8,15-17H2,1-3H3/b32-30+
InChIKey
XTVCFUUUUOBNOQ-NHQGMKOOSA-N
Synonyms
618857-57-1
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5(3ethoxy4(pentyloxy)phenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(6ETHOXY13BENZOTHIAZOL2YL)5(3ETHOXY4PENTOXYPHENYL)PYRROLIDINE23DIONE
618857571
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OCC)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
InChI=1SC35H36N2O8Sc147815432513921(1827(25)4263)3130(32(38)2210142628(1922)4517164426)33(39)34(40)37(31)353624121123(4152)2029(24)4635h91418203138H481517H213H3b3230+
MFCD05730078
ZINC000150445469
ZINC000150445472

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Available files

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