Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-{[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]amino}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550623
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NC[C@@H]1CCCN2[C@@H]1CCCC2)Cl
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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 C26H33ClN2O5 MW 489.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33ClN2O5/c1-15-11-17(28-14-16-7-6-10-29-9-5-4-8-18(16)29)12-21(30)26(15)25(31)22-19(32-2)13-20(33-3)23(27)24(22)34-26/h12-13,15-16,18,28H,4-11,14H2,1-3H3/t15-,16+,18-,26+/m1/s1InChIKey
MXELYSDPGIWZBO-DCWOWMSHSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4((((1S9aR)octahydro1Hquinolizin1yl)methyl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))3(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methylamino)7chloro46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4(((1S9aR)octahydro2Hquinolizin1ylmethyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253346
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NC(C@@H)1CCCN2(C@@H)1CCCC2)Cl
InChI=1SC26H33ClN2O5c1151117(281416761029954818(16)29)1221(30)26(15)25(31)2219(322)1320(333)23(27)24(22)3426h121315161828H41114H213H3t1516+1826+m1s1
ZINC000604405204
ZINC604405204
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