Vitas-M small molecule compound
3'-[2-(methylsulfanyl)ethyl]-5'-(3-nitrophenyl)-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
STK569003
SMILES CSCCC1NC2(C3C1C(=O)N(C3=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1
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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 C22H20N4O5S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5S/c1-32-10-9-16-17-18(22(24-16)14-7-2-3-8-15(14)23-21(22)29)20(28)25(19(17)27)12-5-4-6-13(11-12)26(30)31/h2-8,11,16-18,24H,9-10H2,1H3,(H,23,29)InChIKey
JWEZFCMKECGVBU-UHFFFAOYSA-NSynonyms
(1R3S3aS6aR)3(2(methylthio)ethyl)5(3nitrophenyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1(2METHYLSULFANYLETHYL)5(3NITROPHENYL)SPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE331HINDOLE)246TRIONE
3(2(methylsulfanyl)ethyl)5(3nitrophenyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
CSCC(C@@H)1N(C@@)2((C@H)3(C@@H)1C(=O)N(C3=O)c1cccc(c1)(N+)(=O)(O))C(=O)Nc1c2cccc1
CSCCC1C2C(C(=O)N(C2=O)C3=CC(=CC=C3)(N+)(=O)(O))C4(N1)C5=CC=CC=C5NC4=O
CSCCC1NC2(C3C1C(=O)N(C3=O)c1cccc(c1)(N+)(=O)(O))C(=O)Nc1c2cccc1
InChI=1SC22H20N4O5Sc132109161718(22(2416)14723815(14)2321(22)29)20(28)25(19(17)27)1254613(1112)26(30)31h2811161824H910H21H3(H2329)
MFCD07210537
ZINC000009319117
ZINC000245326415
Check stock
See real-time availability and sample size for STK569003 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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