Vitas-M small molecule compound

methyl 2-{(3E)-2-(3-bromophenyl)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STK563624
SMILES COc1ccc(c(c1)C)/C(=C\1/C(c2cccc(c2)Br)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)/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 C25H21BrN2O6S MW 557.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN2O6S/c1-12-10-16(33-3)8-9-17(12)20(29)18-19(14-6-5-7-15(26)11-14)28(23(31)21(18)30)25-27-13(2)22(35-25)24(32)34-4/h5-11,19,29H,1-4H3/b20-18+
InChIKey
CMWCBPNORLXNOD-CZIZESTLSA-N
Synonyms

CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC(=CC=C4)Br)O
COc1ccc(c(c1)C)C(=C1C(c2cccc(c2)Br)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)O
InChI=1SC25H21BrN2O6Sc1121016(333)8917(12)20(29)1819(1465715(26)1114)28(23(31)21(18)30)252713(2)22(3525)24(32)344h5111929H14H3b2018+
methyl2((3E)2(3bromophenyl)3(hydroxy(4methoxy2methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD03810342
ZINC000102521973
ZINC000102521980

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Available files

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