Vitas-M small molecule compound

(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione

Catalog ID
STK569670
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC

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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 C31H26N2O6S MW 554.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O6S/c1-4-12-38-22-7-5-6-18(15-22)27-26(28(34)19-8-11-24-20(14-19)13-17(2)39-24)29(35)30(36)33(27)31-32-23-10-9-21(37-3)16-25(23)40-31/h4-11,14-17,27,34H,1,12-13H2,2-3H3/b28-26+
InChIKey
DKLQAMORAQPBON-BYCLXTJYSA-N
Synonyms

(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methoxy13benzothiazol2yl)5(3(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(6METHOXY13BENZOTHIAZOL2YL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
C=CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)OC)C6=CC(=CC=C6)OCC=C)O
InChI=1SC31H26N2O6Sc1412382275618(1522)2726(28(34)198112420(1419)1317(2)3924)29(35)30(36)33(27)31322310921(373)1625(23)4031h41114172734H11213H223H3b2826+
MFCD05731760
ZINC000101313746
ZINC000101313754

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Available files

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