Vitas-M small molecule compound
(3a'S,6a'R)-5'-(2-methoxyethyl)-6,7-dimethyl-3'-[2-(methylsulfanyl)ethyl]-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Catalog ID
STK577636
SMILES COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCSC)C(=O)Nc2c1ccc(c2C)C
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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 C21H27N3O4S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O4S/c1-11-5-6-13-17(12(11)2)22-20(27)21(13)16-15(14(23-21)7-10-29-4)18(25)24(19(16)26)8-9-28-3/h5-6,14-16,23H,7-10H2,1-4H3,(H,22,27)/t14?,15-,16+,21?/m1/s1InChIKey
YFTBBHYIRIHMIZ-WZHMAMEKSA-NSynonyms
1212460-89-3(3aR6aS)5(2methoxyethyl)67dimethyl1(2methylsulfanylethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5(2methoxyethyl)67dimethyl3(2(methylsulfanyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5(2methoxyethyl)67dimethyl3(2(methylthio)ethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1212460893
CC1=C(C2=C(C=C1)C3(C4C(C(N3)CCSC)C(=O)N(C4=O)CCOC)C(=O)N2)C
COCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCSC)C(=O)Nc2c1ccc(c2C)C
InChI=1SC21H27N3O4Sc111561317(12(11)2)2220(27)21(13)1615(14(2321)710294)18(25)24(19(16)26)89283h56141623H710H214H3(H2227)t14?1516+21?m1s1
MFCD06789935
ZINC000016024563
ZINC000020566281
Check stock
See real-time availability and sample size for STK577636 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.