Vitas-M small molecule compound
5-(3-bromo-5-ethoxy-4-hydroxybenzyl)-1,3-dimethyl-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL526502
SMILES CCOc1cc(cc(c1O)Br)CC1(CN2CC3CC(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=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 C27H31BrN4O5S MW 603.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31BrN4O5S/c1-4-37-21-10-16(9-19(28)23(21)34)11-27(24(35)29(2)26(38)30(3)25(27)36)15-31-12-17-8-18(14-31)20-6-5-7-22(33)32(20)13-17/h5-7,9-10,17-18,34H,4,8,11-15H2,1-3H3InChIKey
YOLQANLNDICHCO-UHFFFAOYSA-NSynonyms
370841-20-63578343
370841206
5((3bromo5ethoxy4hydroxyphenyl)methyl)13dimethyl5((6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)2sulfanylidene13diazinane46dione
5(3bromo5ethoxy4hydroxybenzyl)13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)2thioxodihydropyrimidine46(1H5H)dione
5(3bromo5ethoxy4hydroxybenzyl)13dimethyl5((8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)2thioxodihydropyrimidine46(1H5H)dione
CCOc1cc(cc(c1O)Br)CC1(CN2C(C@@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C
InChI=1SC27H31BrN4O5Sc1437211016(919(28)23(21)34)1127(24(35)29(2)26(38)30(3)25(27)36)15311217818(1431)2065722(33)32(20)1317h57910171834H481115H213H3
MFCD02926009
ZINC000070670203
Check stock
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