Vitas-M small molecule compound
4-hydroxy-5-{[6-hydroxy-3-(4-methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](4-methoxy-3-{[(1R,5R)-8-oxo-1,3,5,6,8-pentahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium-3(4H)-yl]methyl}phenyl)methyl}-1-(4-methoxyphenyl)-6-oxo-1,6-dihyd
Catalog ID
STL528302
SMILES COc1ccc(cc1)n1c([S-])nc(c(c1=O)C(c1c(O)[nH]c(=S)n(c1=O)c1ccc(cc1)OC)c1ccc(c(c1)C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)OC)O
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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 C42H40N6O8S2 MW 820.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H40N6O8S2/c1-54-29-12-8-27(9-13-29)47-39(52)35(37(50)43-41(47)57)34(36-38(51)44-42(58)48(40(36)53)28-10-14-30(55-2)15-11-28)24-7-16-32(56-3)26(18-24)22-45-19-23-17-25(21-45)31-5-4-6-33(49)46(31)20-23/h4-16,18,23,25,34,50-51H,17,19-22H2,1-3H3,(InChIKey
PFRCZUBCJNQSEK-UKILVPOCSA-NSynonyms
4hydroxy5((6hydroxy3(4methoxyphenyl)4oxo2thioxo1234tetrahydropyrimidin5yl)(4methoxy3(((1R5R)8oxo13568pentahydro2H15methanopyrido(12a)(15)diazocin3ium3(4H)yl)methyl)phenyl)methyl)1(4methoxyphenyl)6oxo16dihyd
InChI=1SC42H40N6O8S2c1542912827(91329)4739(52)35(37(50)4341(47)57)34(3638(51)4442(58)48(40(36)53)28101430(552)151128)2471632(563)26(1824)224519231725(2145)3154633(49)46(31)2023h416182325345051H171922H213H3(H4357)(H4458)t2325+m0s1
ZINC000085889051
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