Vitas-M small molecule compound
methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161528
SMILES COCCCN1C(=C(/C(=C/c2cc(n(c2C)c2ccccc2C(=O)OC)C)/C1=O)C(=O)OC)C
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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 C26H30N2O6 MW 466.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O6/c1-16-14-19(17(2)28(16)22-11-8-7-10-20(22)25(30)33-5)15-21-23(26(31)34-6)18(3)27(24(21)29)12-9-13-32-4/h7-8,10-11,14-15H,9,12-13H2,1-6H3/b21-15-InChIKey
HZEJGHPUGZIDPF-QNGOZBTKSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C3C(=C(N(C3=O)CCCOC)C)C(=O)OC
COCCCN1C(=C(C(=Cc2cc(n(c2C)c2ccccc2C(=O)OC)C)C1=O)C(=O)OC)C
InChI=1SC26H30N2O6c1161419(17(2)28(16)2211871020(22)25(30)335)152123(26(31)346)18(3)27(24(21)29)12913324h7810111415H91213H216H3b2115
METHYL(4Z)4((1(2(METHOXYCARBONYL)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(3METHOXYPROPYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(2METHOXYCARBONYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(3METHOXYPROPYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03255051
ZINC000002813615
ZINC02813615
ZINC2813615
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