Vitas-M small molecule compound
5-(4-chlorobenzyl)-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL527028
SMILES Clc1ccc(cc1)CC1(CN2C[C@@H]3C[C@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1
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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 C29H27ClN4O4 MW 531.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN4O4/c30-22-11-9-19(10-12-22)14-29(26(36)31-28(38)34(27(29)37)23-5-2-1-3-6-23)18-32-15-20-13-21(17-32)24-7-4-8-25(35)33(24)16-20/h1-12,20-21H,13-18H2,(H,31,36,38)/t20-,21+,29?/m1/s1InChIKey
PAQDFCWFNIOKLG-AVNYNHNVSA-NSynonyms
956814-82-716397627
5((4chlorophenyl)methyl)5(((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)1phenyl13diazinane246trione
5(4chlorobenzyl)5(((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)1phenylpyrimidine246(1H3H5H)trione
5(4chlorobenzyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)1phenylpyrimidine246(1H3H5H)trione
956814827
Clc1ccc(cc1)CC1(CN2C(C@@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1
InChI=1SC29H27ClN4O4c302211919(101222)1429(26(36)3128(38)34(27(29)37)235213623)183215201321(1732)2474825(35)33(24)1620h1122021H1318H2(H313638)t2021+29?m1s1
MFCD06763842
ZINC000002107014
ZINC000002114744
Check stock
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Check stock on Vitas-MAvailable files
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