Vitas-M small molecule compound
(3aS,6R,7R,7aS)-2-[2-(1H-indol-3-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL536849
SMILES COc1ccc(cc1)CCNC(=O)[C@H]1[C@@H]2C=C[C@@]3([C@H]1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2
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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 C28H29N3O4 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4/c1-34-20-8-6-18(7-9-20)11-14-29-26(32)24-23-10-13-28(35-23)17-31(27(33)25(24)28)15-12-19-16-30-22-5-3-2-4-21(19)22/h2-10,13,16,23-25,30H,11-12,14-15,17H2,1H3,(H,29,32)/t23-,24+,25-,28-/m1/s1InChIKey
SULYAKFLJLBQCZ-KALPRAJFSA-NSynonyms
(1~(S)5~(S)6~(R)7~(R))3(2(1~(H)indol3yl)ethyl)~(N)(2(4methoxyphenyl)ethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R7R7aS)2(2(1Hindol3yl)ethyl)N(2(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R7R7aS)2(2(1Hindol3yl)ethyl)N(4methoxyphenethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
40854983
COc1ccc(cc1)CCNC(=O)(C@@H)1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCc1c(nH)c3c1cccc3)O2
InChI=1SC28H29N3O4c134208618(7920)11142926(32)2423101328(3523)1731(27(33)25(24)28)151219163022532421(19)22h2101316232530H1112141517H21H3(H2932)t2324+2528m1s1
ZINC000008879966
ZINC8879966
Check stock
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