Vitas-M small molecule compound
ethyl {5'-benzyl-3'-[2-(methylsulfanyl)ethyl]-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1(2H)-yl}acetate
Catalog ID
STK777347
SMILES CSCCC1NC2(C3C1C(=O)N(C3=O)Cc1ccccc1)C(=O)N(c1c2cccc1)CC(=O)OCC
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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 C27H29N3O5S MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5S/c1-3-35-21(31)16-29-20-12-8-7-11-18(20)27(26(29)34)23-22(19(28-27)13-14-36-2)24(32)30(25(23)33)15-17-9-5-4-6-10-17/h4-12,19,22-23,28H,3,13-16H2,1-2H3InChIKey
XWLRTNZHBAPKED-UHFFFAOYSA-NSynonyms
CCOC(=O)CN1C2=CC=CC=C2C3(C1=O)C4C(C(N3)CCSC)C(=O)N(C4=O)CC5=CC=CC=C5
ethyl(5benzyl3(2(methylsulfanyl)ethyl)246trioxo33a4566ahexahydro2Hspiro(indole31pyrrolo(34c)pyrrol)1(2H)yl)acetate
ETHYL2(5BENZYL1(2METHYLSULFANYLETHYL)246TRIOXOSPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE33INDOLE)1YL)ACETATE
InChI=1SC27H29N3O5Sc133521(31)16292012871118(20)27(26(29)34)2322(19(2827)1314362)24(32)30(25(23)33)151795461017h41219222328H31316H212H3
MFCD05260366
ZINC000015320682
ZINC000245257255
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