Vitas-M small molecule compound
ethyl (1'S,2'S,3R,3a'R)-2-oxo-2'-[(4-pentylphenyl)carbonyl]-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Catalog ID
STL528180
SMILES CCCCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)OCC)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1
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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 C34H34N2O4 MW 534.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O4/c1-3-5-6-11-22-16-18-24(19-17-22)31(37)29-30(32(38)40-4-2)36-27-15-10-7-12-23(27)20-21-28(36)34(29)25-13-8-9-14-26(25)35-33(34)39/h7-10,12-21,28-30H,3-6,11H2,1-2H3,(H,35,39)/t28-,29+,30+,34-/m1/s1InChIKey
RJROIQJZDXKSCZ-WFPUBZAHSA-NSynonyms
1212470-41-1(1S2S3R3aR)ethyl2oxo2(4pentylbenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinoline)1carboxylate
1212470411
16398997
CCCCCc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)OCC)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=Cc1c2cccc1
ethyl(1~(S)2~(S)3~(R)3~(a)~(R))2oxo2(4pentylbenzoyl)spiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)1carboxylate
ethyl(1S2S3R3aR)2oxo2((4pentylphenyl)carbonyl)1122tetrahydro3aHspiro(indole33pyrrolo(12a)quinoline)1carboxylate
InChI=1SC34H34N2O4c13561122161824(191722)31(37)2930(32(38)4042)3627151071223(27)202128(36)34(29)2513891426(25)3533(34)39h71012212830H3611H212H3(H3539)t2829+30+34m1s1
MFCD03853312
ZINC000005946180
ZINC5946180
Check stock
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Check stock on Vitas-MAvailable files
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