Vitas-M small molecule compound
(3a'S,6a'R)-7-chloro-5'-cycloheptyl-5-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
STK596825
SMILES CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCCC1)C(=O)Nc1c2cc(C)cc1Cl
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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 C24H30ClN3O3S MW 476.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30ClN3O3S/c1-13-11-15-20(16(25)12-13)26-23(31)24(15)19-18(17(27-24)9-10-32-2)21(29)28(22(19)30)14-7-5-3-4-6-8-14/h11-12,14,17-19,27H,3-10H2,1-2H3,(H,26,31)/t17?,18-,19+,24?/m1/s1InChIKey
IJUXZXBGFVOQSS-PYQXHLOTSA-NSynonyms
1014001-23-0(3aR6aS)7chloro5cycloheptyl5methyl1(2methylsulfanylethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)7chloro5cycloheptyl5methyl3(2(methylsulfanyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)7chloro5cycloheptyl5methyl3(2(methylthio)ethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1014001230
CC1=CC(=C2C(=C1)C3(C4C(C(N3)CCSC)C(=O)N(C4=O)C5CCCCCC5)C(=O)N2)Cl
CSCCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C1CCCCCC1)C(=O)Nc1c2cc(C)cc1Cl
InChI=1SC24H30ClN3O3Sc113111520(16(25)1213)2623(31)24(15)1918(17(2724)910322)21(29)28(22(19)30)1475346814h111214171927H310H212H3(H2631)t17?1819+24?m1s1
MFCD06774043
ZINC000016020420
ZINC000016020426
Check stock
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Check stock on Vitas-MAvailable files
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