Vitas-M small molecule compound
(3a'S,6a'R)-6-chloro-5'-cyclopentyl-7-methyl-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
STK590085
SMILES CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCC1)C(=O)Nc1c2ccc(c1C)Cl
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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 C22H26ClN3O3S MW 447.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN3O3S/c1-11-14(23)8-7-13-18(11)24-21(29)22(13)17-16(15(25-22)9-10-30-2)19(27)26(20(17)28)12-5-3-4-6-12/h7-8,12,15-17,25H,3-6,9-10H2,1-2H3,(H,24,29)/t15?,16-,17+,22?/m1/s1InChIKey
LYQARSBUUHENRK-IZCOPSDLSA-NSynonyms
958845-76-6(3AR6AS)6CHLORO5CYCLOPENTYL7METHYL1(2METHYLSULFANYLETHYL)SPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE331HINDOLE)246TRIONE
(3aS6aR)6chloro5cyclopentyl7methyl3(2(methylsulfanyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)6chloro5cyclopentyl7methyl3(2(methylthio)ethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
958845766
CC1=C(C=CC2=C1NC(=O)C23C4C(C(N3)CCSC)C(=O)N(C4=O)C5CCCC5)Cl
CSCCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C1CCCC1)C(=O)Nc1c2ccc(c1C)Cl
InChI=1SC22H26ClN3O3Sc11114(23)871318(11)2421(29)22(13)1716(15(2522)910302)19(27)26(20(17)28)12534612h7812151725H36910H212H3(H2429)t15?1617+22?m1s1
MFCD06610405
ZINC000016012610
ZINC000020533382
Check stock
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Check stock on Vitas-MAvailable files
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