Vitas-M small molecule compound
3'-benzyl-5'-(2-methoxy-5-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
STK568517
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cccc2)[N+](=O)[O-]
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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 C27H22N4O6 MW 498.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O6/c1-37-21-12-11-16(31(35)36)14-20(21)30-24(32)22-19(13-15-7-3-2-4-8-15)29-27(23(22)25(30)33)17-9-5-6-10-18(17)28-26(27)34/h2-12,14,19,22-23,29H,13H2,1H3,(H,28,34)InChIKey
XJYXYMPDDXSKRB-UHFFFAOYSA-NSynonyms
(1R3S3aS6aR)3benzyl5(2methoxy5nitrophenyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1BENZYL5(2METHOXY5NITROPHENYL)SPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE331HINDOLE)246TRIONE
3benzyl5(2methoxy5nitrophenyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(NC4(C3C2=O)C5=CC=CC=C5NC4=O)CC6=CC=CC=C6
COc1ccc(cc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@)1(N(C@H)2Cc2ccccc2)C(=O)Nc2c1cccc2)(N+)(=O)(O)
COc1ccc(cc1N1C(=O)C2C(C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cccc2)(N+)(=O)(O)
InChI=1SC27H22N4O6c13721121116(31(35)36)1420(21)3024(32)2219(13157324815)2927(23(22)25(30)33)179561018(17)2826(27)34h2121419222329H13H21H3(H2834)
MFCD07207874
ZINC000016010217
ZINC000245329061
Check stock
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Check stock on Vitas-MAvailable files
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