Vitas-M small molecule compound
methyl 2-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL056611
SMILES COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(C)C)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=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 C28H26N2O7S MW 534.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O7S/c1-14(2)16-5-7-17(8-6-16)22-21(23(31)18-9-10-19-20(13-18)37-12-11-36-19)24(32)26(33)30(22)28-29-15(3)25(38-28)27(34)35-4/h5-10,13-14,22,31H,11-12H2,1-4H3/b23-21+InChIKey
XGGLHDKLUPFSFZ-XTQSDGFTSA-NSynonyms
620561-56-0620561560
CC1=C(SC(=N1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=C(C=C5)C(C)C)C(=O)OC
COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(C)C)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC28H26N2O7Sc114(2)165717(8616)2221(23(31)189101920(1318)3712113619)24(32)26(33)30(22)282915(3)25(3828)27(34)354h51013142231H1112H214H3b2321+
methyl2((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxo2(4(propan2yl)phenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)23DIOXO5(4PROPAN2YLPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD05736801
ZINC000102896432
ZINC000102896434
Check stock
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Check stock on Vitas-MAvailable files
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