Vitas-M small molecule compound
7-chloro-4,6-dimethoxy-4'-({[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl](phenyl)methyl}amino)-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549520
SMILES COCc1n[nH]c(n1)C(c1ccccc1)NC1=CC(=O)C2(C(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)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 C27H27ClN4O6 MW 538.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN4O6/c1-14-10-16(29-23(15-8-6-5-7-9-15)26-30-20(13-35-2)31-32-26)11-19(33)27(14)25(34)21-17(36-3)12-18(37-4)22(28)24(21)38-27/h5-9,11-12,14,23,29H,10,13H2,1-4H3,(H,30,31,32)InChIKey
RXAQHQSCZJYEJW-UHFFFAOYSA-NSynonyms
(1S6R)7chloro46dimethoxy4(((5(methoxymethyl)1H124triazol3yl)(phenyl)methyl)amino)6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
132286273
7chloro46dimethoxy3(((5(methoxymethyl)1~(H)124triazol3yl)phenylmethyl)amino)5methylspiro(1benzofuran26cyclohex2ene)13dione
7chloro46dimethoxy4(((3(methoxymethyl)1H124triazol5yl)(phenyl)methyl)amino)6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
COCc1(nH)nc(n1)C(c1ccccc1)NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC
InChI=1SC27H27ClN4O6c1141016(2923(158657915)263020(13352)313226)1119(33)27(14)25(34)2117(363)1218(374)22(28)24(21)3827h591112142329H1013H214H3(H303132)
MFCD31757031
ZINC000604405812
ZINC000888089970
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