Vitas-M small molecule compound
(3S,3'S,3a'R,6a'S)-7-chloro-3'-(2-methylpropyl)-5'-(prop-2-en-1-yl)-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
STK593746
SMILES C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(N[C@H]2CC(C)C)C(=O)Nc2c1cccc2Cl
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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 C20H22ClN3O3 MW 387.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O3/c1-4-8-24-17(25)14-13(9-10(2)3)23-20(15(14)18(24)26)11-6-5-7-12(21)16(11)22-19(20)27/h4-7,10,13-15,23H,1,8-9H2,2-3H3,(H,22,27)/t13-,14-,15+,20+/m0/s1InChIKey
WCFWXUIBSGNMKL-UJKGCTCZSA-NSynonyms
1212264-22-6(1S3S3aR6aS)5allyl7chloro3isobutyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(1S3S3AS6AR)7CHLORO1(2METHYLPROPYL)5PROP2ENYLSPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE331HINDOLE)246TRIONE
(3S3S3aR6aS)7chloro3(2methylpropyl)5(prop2en1yl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1212264226
C=CCN1C(=O)(C@@H)2(C@H)(C1=O)(C@@)1(N(C@H)2CC(C)C)C(=O)Nc2c1cccc2Cl
CC(C)CC1C2C(C(=O)N(C2=O)CC=C)C3(N1)C4=C(C(=CC=C4)Cl)NC3=O
InChI=1SC20H22ClN3O3c1482417(25)1413(910(2)3)2320(15(14)18(24)26)1165712(21)16(11)2219(20)27h4710131523H189H223H3(H2227)t131415+20+m0s1
MFCD08284657
ZINC000005482889
ZINC5482889
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.