Vitas-M small molecule compound
5-(3,4-dimethoxybenzyl)-1,3-dimethyl-5-{[(1R,5S)-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
STL526334
SMILES COc1ccc(cc1OC)CC1(CN2C[C@H]3C[C@@H](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 C27H32N4O5S MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O5S/c1-28-24(33)27(25(34)29(2)26(28)37,12-17-8-9-21(35-3)22(11-17)36-4)16-30-13-18-10-19(15-30)20-6-5-7-23(32)31(20)14-18/h5-9,11,18-19H,10,12-16H2,1-4H3/t18-,19+/m0/s1InChIKey
KAFUQFJBMPMKGE-RBUKOAKNSA-NSynonyms
1212477-56-91212477569
1781365
5((34dimethoxyphenyl)methyl)13dimethyl5(((1~(R)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)2sulfanylidene13diazinane46dione
5(34dimethoxybenzyl)13dimethyl5(((1R5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)2thioxodihydropyrimidine46(1H5H)dione
5(34dimethoxybenzyl)13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)2thioxodihydropyrimidine46(1H5H)dione
COc1ccc(cc1OC)CC1(CN2C(C@@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C
InChI=1SC27H32N4O5Sc12824(33)27(25(34)29(2)26(28)3712178921(353)22(1117)364)163013181019(1530)2065723(32)31(20)1418h59111819H101216H214H3t1819+m0s1
MFCD02924954
ZINC000020112220
ZINC20112220
Check stock
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