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-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL040795
SMILES CCCOc1cccc(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 C31H28N2O6S MW 556.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O6S/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/h5-11,14-17,27,34H,4,12-13H2,1-3H3/b28-26+InChIKey
KXUKOWRWRPGNAR-BYCLXTJYSA-NSynonyms
(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methoxy13benzothiazol2yl)5(3propoxyphenyl)pyrrolidine23dione
893697784
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OC
CCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC
InChI=1SC31H28N2O6Sc1412382275618(1522)2726(28(34)198112420(1419)1317(2)3924)29(35)30(36)33(27)31322310921(373)1625(23)4031h51114172734H41213H213H3b2826+
MFCD05736557
ZINC000102867235
ZINC000102867241
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