Vitas-M small molecule compound
2-[(2R,6'R)-7-chloro-4,6-dimethoxy-2'-(4-methoxyphenyl)-6'-methyl-3,4'-dioxo-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]-N-[2-(4-oxoquinazolin-3(4H)-yl)ethyl]acetamide
Catalog ID
STL561597
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCCn1cnc3c(c1=O)cccc3)C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
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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 C37H32ClN3O9 MW 698.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H32ClN3O9/c1-19-15-26-29(34(43)37(19)35(44)30-25(47-3)17-27(48-4)31(38)33(30)50-37)23(32(49-26)20-9-11-21(46-2)12-10-20)16-28(42)39-13-14-41-18-40-24-8-6-5-7-22(24)36(41)45/h5-12,17-19H,13-16H2,1-4H3,(H,39,42)/t19-,37+/m1/s1InChIKey
PHHSBHUXIJVWRQ-JGEXTMCWSA-NSynonyms
145704954
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N(2(4oxoquinazolin3(4H)yl)ethyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N(2(4oxoquinazolin3(4H)yl)ethyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N(2(4oxoquinazolin3yl)ethyl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)NCCn1cnc3c(c1=O)cccc3)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC37H32ClN3O9c119152629(34(43)37(19)35(44)3025(473)1727(484)31(38)33(30)5037)23(32(4926)2091121(462)121020)1628(42)39131441184024865722(24)36(41)45h5121719H1316H214H3(H3942)t1937+m1s1
MFCD32650662
ZINC001848442937
Check stock
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