Vitas-M small molecule compound
prop-2-en-1-yl 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
STK565989
SMILES C=CCOC(=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 C39H32N2O7S MW 672.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H32N2O7S/c1-4-20-46-38(45)36-25(3)40-39(49-36)41-33(27-14-11-17-30(22-27)48-28-15-9-6-10-16-28)32(35(43)37(41)44)34(42)31-19-18-29(21-24(31)2)47-23-26-12-7-5-8-13-26/h4-19,21-22,33,42H,1,20,23H2,2-3H3/b34-32+InChIKey
HEGBMJYEKCELLC-NWBJSICCSA-NSynonyms
C=CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2C)OCc2ccccc2)O)C1c1cccc(c1)Oc1ccccc1
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)C4=NC(=C(S4)C(=O)OCC=C)C)C5=CC(=CC=C5)OC6=CC=CC=C6)O
InChI=1SC39H32N2O7Sc14204638(45)3625(3)4039(4936)4133(2714111730(2227)48281596101628)32(35(43)37(41)44)34(42)31191829(2124(31)2)472326127581326h41921223342H12023H223H3b3432+
MFCD04078865
prop2en1yl2((3E)3((4(benzyloxy)2methylphenyl)(hydroxy)methylidene)45dioxo2(3phenoxyphenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((4E)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)23DIOXO5(3PHENOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000150456355
ZINC000150456361
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