Vitas-M small molecule compound
methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161478
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc2c(c1)OCO2)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 C23H25NO5 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5/c1-15-21(23(26)27-2)18(12-17-8-9-19-20(13-17)29-14-28-19)22(25)24(15)11-10-16-6-4-3-5-7-16/h6,8-9,12-13H,3-5,7,10-11,14H2,1-2H3/b18-12-InChIKey
JFUDGYPYMPAAHQ-PDGQHHTCSA-NSynonyms
CC1=C(C(=CC2=CC3=C(C=C2)OCO3)C(=O)N1CCC4=CCCCC4)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc2c(c1)OCO2)CCC1=CCCCC1
InChI=1SC23H25NO5c11521(23(26)272)18(1217891920(1317)29142819)22(25)24(15)1110166435716h6891213H357101114H212H3b1812
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)1(2(CYCLOHEX1EN1YL)ETHYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)1(2(CYCLOHEXEN1YL)ETHYL)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL3(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)1(2CYCLOHEX1ENYLETHYL)5METHYL2OXOAZOLINE4CARBOXYLATE
MFCD03253100
ZINC000001053666
ZINC01053666
ZINC1053666
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