Vitas-M small molecule compound

(4E)-4-[hydroxy(3-methoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-[4-(propan-2-yloxy)phenyl]pyrrolidine-2,3-dione

Catalog ID
STK627203
SMILES COc1cccc(c1)/C(=C\1/C(c2ccc(cc2)OC(C)C)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)/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 C29H26N2O5S MW 514.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O5S/c1-16(2)36-20-11-9-18(10-12-20)25-24(26(32)19-6-5-7-21(15-19)35-4)27(33)28(34)31(25)29-30-22-13-8-17(3)14-23(22)37-29/h5-16,25,32H,1-4H3/b26-24+
InChIKey
YTCOMQHNSHOFEQ-SHHOIMCASA-N
Synonyms
618417-15-5
(4E)4(hydroxy(3methoxyphenyl)methylidene)1(6methyl13benzothiazol2yl)5(4(propan2yloxy)phenyl)pyrrolidine23dione
(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(6METHYL13BENZOTHIAZOL2YL)5(4PROPAN2YLOXYPHENYL)PYRROLIDINE23DIONE
618417155
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC(=CC=C4)OC)O)C(=O)C3=O)C5=CC=C(C=C5)OC(C)C
COc1cccc(c1)C(=C1C(c2ccc(cc2)OC(C)C)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)O
InChI=1SC29H26N2O5Sc116(2)362011918(101220)2524(26(32)1965721(1519)354)27(33)28(34)31(25)29302213817(3)1423(22)3729h5162532H14H3b2624+
MFCD09791232
ZINC000102729942
ZINC000102729944

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Available files

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