Vitas-M small molecule compound
methyl (4Z)-4-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161527
SMILES COCCCN1C(=C(/C(=C/c2cc(n(c2C)c2ccc(c(c2)Cl)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 C25H29ClN2O5 MW 472.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29ClN2O5/c1-15-12-18(16(2)28(15)19-8-9-22(32-5)21(26)14-19)13-20-23(25(30)33-6)17(3)27(24(20)29)10-7-11-31-4/h8-9,12-14H,7,10-11H2,1-6H3/b20-13-InChIKey
FKHFTWUVJFWYLW-MOSHPQCFSA-NSynonyms
CC1=CC(=C(N1C2=CC(=C(C=C2)OC)Cl)C)C=C3C(=C(N(C3=O)CCCOC)C)C(=O)OC
COCCCN1C(=C(C(=Cc2cc(n(c2C)c2ccc(c(c2)Cl)OC)C)C1=O)C(=O)OC)C
InChI=1SC25H29ClN2O5c1151218(16(2)28(15)198922(325)21(26)1419)132023(25(30)336)17(3)27(24(20)29)10711314h891214H71011H216H3b2013
METHYL(4Z)4((1(3CHLORO4METHOXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(3METHOXYPROPYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(3CHLORO4METHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(3METHOXYPROPYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03255906
ZINC000002817001
ZINC02817001
ZINC2817001
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