Vitas-M small molecule compound
3-benzyl-5-(3-benzyl-2-hydroxy-4-oxo-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-5-yl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL058261
SMILES Oc1nc2Oc3ccccc3C(c2c(=O)n1Cc1ccccc1)c1c(=O)[nH]c(=O)n(c1[O-])Cc1ccccc1
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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 C29H21N4O6 MW 521.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N4O6/c34-24-22(26(35)32(28(37)30-24)15-17-9-3-1-4-10-17)21-19-13-7-8-14-20(19)39-25-23(21)27(36)33(29(38)31-25)16-18-11-5-2-6-12-18/h1-14,21,35H,15-16H2,(H,31,38)(H,30,34,37)/p-1InChIKey
CXRPWSQDPSCOTB-UHFFFAOYSA-MSynonyms
3BENZYL5(3BENZYL24DIOXO15DIHYDROCHROMENO(23D)PYRIMIDIN5YL)26DIOXOPYRIMIDIN4OLATE
3benzyl5(3benzyl2hydroxy4oxo35dihydro4Hchromeno(23d)pyrimidin5yl)26dioxo1236tetrahydropyrimidin4olate
C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)C3C4=CC=CC=C4OC5=C3C(=O)N(C(=O)N5)CC6=CC=CC=C6)(O)
InChI=1SC29H22N4O6c342422(26(35)32(28(37)3024)151793141017)211913781420(19)392523(21)27(36)33(29(38)3125)1618115261218h1142135H1516H2(H3138)(H303437)p1
Oc1nc2Oc3ccccc3C(c2c(=O)n1Cc1ccccc1)c1c(=O)(nH)c(=O)n(c1(O))Cc1ccccc1
ZINC000101268509
ZINC000101268512
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