Vitas-M small molecule compound
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-thioxo-5-(2,3,4-trimethoxybenzyl)dihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL524708
SMILES COc1ccc(c(c1OC)OC)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 C28H34N4O6S MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N4O6S/c1-29-25(34)28(26(35)30(2)27(29)39,12-18-9-10-21(36-3)24(38-5)23(18)37-4)16-31-13-17-11-19(15-31)20-7-6-8-22(33)32(20)14-17/h6-10,17,19H,11-16H2,1-5H3/t17-,19+/m0/s1InChIKey
UZZQNHQHEZLKKC-PKOBYXMFSA-NSynonyms
13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)2thioxo5(234trimethoxybenzyl)dihydropyrimidine46(1H5H)dione
13dimethyl5((8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)2thioxo5(234trimethoxybenzyl)dihydropyrimidine46(1H5H)dione
COc1ccc(c(c1OC)OC)CC1(CN2C(C@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C
InChI=1SC28H34N4O6Sc12925(34)28(26(35)30(2)27(29)39121891021(363)24(385)23(18)374)163113171119(1531)2076822(33)32(20)1417h6101719H1116H215H3t1719+m0s1
MFCD02924781
ZINC000106030884
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