Vitas-M small molecule compound
(3aS,6R,7aR)-2-[4-(acetylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL535199
SMILES CC(=O)Nc1ccc(cc1)N1C[C@@]23[C@H](C1=O)C([C@@H](O3)C=C2)C(=O)NCCc1c[nH]c2c1cccc2
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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 C27H26N4O4 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4/c1-16(32)30-18-6-8-19(9-7-18)31-15-27-12-10-22(35-27)23(24(27)26(31)34)25(33)28-13-11-17-14-29-21-5-3-2-4-20(17)21/h2-10,12,14,22-24,29H,11,13,15H2,1H3,(H,28,33)(H,30,32)/t22-,23?,24+,27-/m1/s1InChIKey
KSIUKGHMZRYBIB-XIEDICHMSA-NSynonyms
(1~(S)5~(R)7~(R))3(4acetamidophenyl)~(N)(2(1~(H)indol3yl)ethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R7aR)2(4(acetylamino)phenyl)N(2(1Hindol3yl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(6R)N(2(1Hindol3yl)ethyl)2(4acetamidophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
135639444
CC(=O)Nc1ccc(cc1)N1C(C@@)23(C@@H)(C1=O)(C@H)((C@@H)(O3)C=C2)C(=O)NCCc1c(nH)c2c1cccc2
InChI=1SC27H26N4O4c116(32)30186819(9718)311527121022(3527)23(24(27)26(31)34)25(33)28131117142921532420(17)21h2101214222429H111315H21H3(H2833)(H3032)t2223?24+27m1s1
MFCD09794996
ZINC000015894282
ZINC000015894283
Check stock
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Check stock on Vitas-MAvailable files
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