Vitas-M small molecule compound
methyl (4Z)-4-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168543
SMILES COCCN1C(=O)/C(=C\c2cc(n(c2C)c2ccc(c(c2)C)C)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 C25H30N2O4 MW 422.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O4/c1-15-8-9-21(12-16(15)2)27-17(3)13-20(18(27)4)14-22-23(25(29)31-7)19(5)26(24(22)28)10-11-30-6/h8-9,12-14H,10-11H2,1-7H3/b22-14-InChIKey
CFYSVWQUDHPTDX-HMAPJEAMSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)CCOC)C)C(=O)OC)C)C
COCCN1C(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)C)C)C)C(=C1C)C(=O)OC
InChI=1SC25H30N2O4c1158921(1216(15)2)2717(3)1320(18(27)4)142223(25(29)317)19(5)26(24(22)28)1011306h891214H1011H217H3b2214
METHYL(4Z)4((1(34DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(2METHOXYETHYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(34DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(2METHOXYETHYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03079886
ZINC000002185479
ZINC02185479
ZINC2185479
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