Vitas-M small molecule compound

(5E)-3-heptyl-6-hydroxy-5-(1H-pyrrol-2-ylmethylidene)pyrimidine-2,4(3H,5H)-dione

Catalog ID
STL054068
SMILES CCCCCCCN1C(=O)N=C(/C(=C\c2[nH]ccc2)/C1=O)O

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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 C16H21N3O3 MW 303.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O3/c1-2-3-4-5-6-10-19-15(21)13(14(20)18-16(19)22)11-12-8-7-9-17-12/h7-9,11,17H,2-6,10H2,1H3,(H,18,20,22)/b13-11+
InChIKey
IWIVLBRRNYTFER-ACCUITESSA-N
Synonyms

(5E)1HEPTYL5(1HPYRROL2YLMETHYLIDENE)13DIAZINANE246TRIONE
(5E)3heptyl6hydroxy5(1Hpyrrol2ylmethylidene)pyrimidine24(3H5H)dione
CCCCCCCN1C(=O)C(=CC2=CC=CN2)C(=O)NC1=O
CCCCCCCN1C(=O)N=C(C(=Cc2(nH)ccc2)C1=O)O
InChI=1SC16H21N3O3c123456101915(21)13(14(20)1816(19)22)11128791712h791117H2610H21H3(H182022)b1311+
MFCD05728690
ZINC000001826095
ZINC1826095

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Available files

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