Vitas-M small molecule compound
1-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-{[5-(diphenylmethyl)-4,6-dihydroxypyrimidin-2-yl]sulfanyl}ethanone
Catalog ID
STL527360
SMILES COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)CSc1nc(O)c(c(n1)O)C(c1ccccc1)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 C31H31N3O5S MW 557.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O5S/c1-19-23-17-25(39-3)24(38-2)16-22(23)14-15-34(19)26(35)18-40-31-32-29(36)28(30(37)33-31)27(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16-17,19,27H,14-15,18H2,1-3H3,(H2,32,33,36,37)/t19-/m0/s1InChIKey
RIELSUKFADYCKC-IBGZPJMESA-NSynonyms
1212167-46-81((1S)67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)2((5(diphenylmethyl)46dihydroxypyrimidin2yl)sulfanyl)ethanone
1212167468
16399304
5benzhydryl2(2((1~(S))67dimethoxy1methyl34dihydro1~(H)isoquinolin2yl)2oxoethyl)sulfanyl4hydroxy1~(H)pyrimidin6one
InChI=1SC31H31N3O5Sc119231725(393)24(382)1622(23)141534(19)26(35)1840313229(36)28(30(37)3331)27(20106471120)21128591321h41316171927H141518H213H3(H232333637)t19m0s1
MFCD03267380
ZINC000070681030
ZINC70681030
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