Vitas-M small molecule compound

(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(pyridin-3-yl)pyrrolidine-2,3-dione

Catalog ID
STL050355
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)c1nc2c(s1)cc(cc2)Cl)/O

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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 C26H18ClN3O4S MW 503.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClN3O4S/c1-13-9-16-10-14(4-7-19(16)34-13)23(31)21-22(15-3-2-8-28-12-15)30(25(33)24(21)32)26-29-18-6-5-17(27)11-20(18)35-26/h2-8,10-13,22,31H,9H2,1H3/b23-21+
InChIKey
CCBGHMPPSNXIIF-XTQSDGFTSA-N
Synonyms
850801-37-5
(4E)1(6chloro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(pyridin3yl)pyrrolidine23dione
(4E)1(6CHLORO13BENZOTHIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5PYRIDIN3YLPYRROLIDINE23DIONE
850801375
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)Cl)C6=CN=CC=C6)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1cccnc1)c1nc2c(s1)cc(cc2)Cl)O
InChI=1SC26H18ClN3O4Sc1139161014(4719(16)3413)23(31)2122(15328281215)30(25(33)24(21)32)2629186517(27)1120(18)3526h2810132231H9H21H3b2321+
MFCD05725212
ZINC000102771479
ZINC000102771485

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Available files

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