Vitas-M small molecule compound

methyl 2-[(3E)-3-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylidene}-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STK562681
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2C)OCc2ccccc2)/O)/C1c1cccc(c1)Oc1ccccc1

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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 C37H30N2O7S MW 646.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H30N2O7S/c1-22-19-27(45-21-24-11-6-4-7-12-24)17-18-29(22)32(40)30-31(25-13-10-16-28(20-25)46-26-14-8-5-9-15-26)39(35(42)33(30)41)37-38-23(2)34(47-37)36(43)44-3/h4-20,31,40H,21H2,1-3H3/b32-30+
InChIKey
ZCRUSCGXIHJYEY-NHQGMKOOSA-N
Synonyms

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)C4=NC(=C(S4)C(=O)OC)C)C5=CC(=CC=C5)OC6=CC=CC=C6)O
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2C)OCc2ccccc2)O)C1c1cccc(c1)Oc1ccccc1
InChI=1SC37H30N2O7Sc1221927(452124116471224)171829(22)32(40)3031(2513101628(2025)4626148591526)39(35(42)33(30)41)373823(2)34(4737)36(43)443h4203140H21H213H3b3230+
methyl2((3E)3((4(benzyloxy)2methylphenyl)(hydroxy)methylidene)45dioxo2(3phenoxyphenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((4E)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)23DIOXO5(3PHENOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD04082409
ZINC000150451022
ZINC000150451026

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.