Vitas-M small molecule compound

ethyl 2-{(3E)-2-[3-(benzyloxy)phenyl]-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STL054863
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1cccc(c1)OCc1ccccc1

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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 C34H30N2O7S MW 610.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N2O7S/c1-4-41-33(40)31-20(3)35-34(44-31)36-28(22-11-8-12-25(17-22)42-18-21-9-6-5-7-10-21)27(30(38)32(36)39)29(37)23-13-14-26-24(16-23)15-19(2)43-26/h5-14,16-17,19,28,37H,4,15,18H2,1-3H3/b29-27+
InChIKey
YXDGQACNXSIEDZ-ORIPQNMZSA-N
Synonyms
1203298-51-4
1203298514
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C2=O)C5=CC(=CC=C5)OCC6=CC=CC=C6)C
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1cccc(c1)OCc1ccccc1
ethyl2((3E)2(3(benzyloxy)phenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)23DIOXO5(3PHENYLMETHOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC34H30N2O7Sc144133(40)3120(3)3534(4431)3628(221181225(1722)42182196571021)27(30(38)32(36)39)29(37)2313142624(1623)1519(2)4326h5141617192837H41518H213H3b2927+
MFCD05726715
ZINC000102892995
ZINC000102893000

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Available files

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