Vitas-M small molecule compound
methyl (4Z)-4-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-[4-(ethoxycarbonyl)phenyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160579
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)/C(=C\c2cc(n(c2C)c2ccccc2C)C)/C(=C1C)C(=O)OC
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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 C30H30N2O5 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O5/c1-7-37-29(34)22-12-14-24(15-13-22)32-21(5)27(30(35)36-6)25(28(32)33)17-23-16-19(3)31(20(23)4)26-11-9-8-10-18(26)2/h8-17H,7H2,1-6H3/b25-17-InChIKey
VTYZYNFPVIYFLJ-UQQQWYQISA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=CC3=C(N(C(=C3)C)C4=CC=CC=C4C)C)C2=O)C(=O)OC)C
CCOC(=O)c1ccc(cc1)N1C(=O)C(=Cc2cc(n(c2C)c2ccccc2C)C)C(=C1C)C(=O)OC
InChI=1SC30H30N2O5c173729(34)22121424(151322)3221(5)27(30(35)366)25(28(32)33)17231619(3)31(20(23)4)2611981018(26)2h817H7H216H3b2517
METHYL(4Z)4((25DIMETHYL1(2METHYLPHENYL)1HPYRROL3YL)METHYLIDENE)1(4(ETHOXYCARBONYL)PHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((25DIMETHYL1(2METHYLPHENYL)PYRROL3YL)METHYLIDENE)1(4ETHOXYCARBONYLPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD05625636
ZINC000003652144
ZINC03652144
ZINC3652144
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