Vitas-M small molecule compound
methyl 2-(3-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK087481
SMILES COC(=O)c1ccccc1n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
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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 C26H21N3O7 MW 487.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O7/c1-14-10-16(15(2)28(14)20-7-5-4-6-18(20)25(32)34-3)11-19-23(30)27-26(33)29(24(19)31)17-8-9-21-22(12-17)36-13-35-21/h4-12H,13H2,1-3H3,(H,27,30,33)/b19-11+InChIKey
WZLSVBZNQYWEFX-YBFXNURJSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C3C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5
COC(=O)c1ccccc1n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC26H21N3O7c1141016(15(2)28(14)20754618(20)25(32)343)111923(30)2726(33)29(24(19)31)17892122(1217)36133521h412H13H213H3(H273033)b1911+
METHYL2(3((E)(1(13BENZODIOXOL5YL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
METHYL2(3((E)(1(13BENZODIOXOL5YL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
MFCD03250831
STK087481
ZINC000009259781
ZINC09259781
ZINC9259781
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