Vitas-M small molecule compound
N-(4-acetylcyclohexa-2,4-dien-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Catalog ID
STK979092
SMILES COCCn1c(cc2c1n(C)c(=O)n(c2=O)C)C(=O)NC1CC=C(C=C1)C(=O)C
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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 C20H24N4O5 MW 400.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O5/c1-12(25)13-5-7-14(8-6-13)21-17(26)16-11-15-18(24(16)9-10-29-4)22(2)20(28)23(3)19(15)27/h5-7,11,14H,8-10H2,1-4H3,(H,21,26)InChIKey
CLBNRSPNJJWOQP-UHFFFAOYSA-NSynonyms
CC(=O)C1=CCC(C=C1)NC(=O)C2=CC3=C(N2CCOC)N(C(=O)N(C3=O)C)C
InChI=1SC20H24N4O5c112(25)135714(8613)2117(26)16111518(24(16)910294)22(2)20(28)23(3)19(15)27h571114H810H214H3(H2126)
MFCD13591151
N(4acetylcyclohexa24dien1yl)7(2methoxyethyl)13dimethyl24dioxo2347tetrahydro1Hpyrrolo(23d)pyrimidine6carboxamide
N(4acetylcyclohexa24dien1yl)7(2methoxyethyl)13dimethyl24dioxopyrrolo(23d)pyrimidine6carboxamide
ZINC000011835653
ZINC000011835654
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