Vitas-M small molecule compound
methyl (4Z)-4-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161556
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1cccc(c1)Cl)C)CCC1=CCCCC1
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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 C28H31ClN2O3 MW 479.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31ClN2O3/c1-18-15-22(19(2)31(18)24-12-8-11-23(29)17-24)16-25-26(28(33)34-4)20(3)30(27(25)32)14-13-21-9-6-5-7-10-21/h8-9,11-12,15-17H,5-7,10,13-14H2,1-4H3/b25-16-InChIKey
ALKOTRHOHZWPOE-XYGWBWBKSA-NSynonyms
CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=C3C(=C(N(C3=O)CCC4=CCCCC4)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1cccc(c1)Cl)C)CCC1=CCCCC1
InChI=1SC28H31ClN2O3c1181522(19(2)31(18)241281123(29)1724)162526(28(33)344)20(3)30(27(25)32)14132196571021h8911121517H57101314H214H3b2516
METHYL(4Z)4((1(3CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(2(CYCLOHEX1EN1YL)ETHYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(3CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(2(CYCLOHEXEN1YL)ETHYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03260625
ZINC000014009625
ZINC14009625
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