Vitas-M small molecule compound

methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK804854
SMILES CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)/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 C17H17NO5 MW 315.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO5/c1-4-18-10(2)15(17(20)21-3)12(16(18)19)7-11-5-6-13-14(8-11)23-9-22-13/h5-8H,4,9H2,1-3H3/b12-7-
InChIKey
HOOIMVGREKMMCL-GHXNOFRVSA-N
Synonyms

(Z)methyl4(benzo(d)(13)dioxol5ylmethylene)1ethyl2methyl5oxo45dihydro1Hpyrrole3carboxylate
4BENZO(13)DIOXOL5YLMETHYLENE1ETHYL2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLICACIDMETHYLESTER
CCN1C(=C(C(=CC2=CC3=C(C=C2)OCO3)C1=O)C(=O)OC)C
CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)C(=C1C)C(=O)OC
InChI=1SC17H17NO5c141810(2)15(17(20)213)12(16(18)19)711561314(811)2392213h58H49H213H3b127
methyl(4Z)4(13benzodioxol5ylmethylidene)1ethyl2methyl5oxo45dihydro1Hpyrrole3carboxylate
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)1ETHYL2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD01893996
ZINC000000113061
ZINC00113061
ZINC113061

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Available files

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