Vitas-M small molecule compound

3'-(4-hydroxybenzyl)-5'-(2-methyl-4-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
STL040695
SMILES Oc1ccc(cc1)CC1NC2(C3C1C(=O)N(C3=O)c1ccc(cc1C)[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 C27H22N4O6 MW 498.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O6/c1-14-12-16(31(36)37)8-11-21(14)30-24(33)22-20(13-15-6-9-17(32)10-7-15)29-27(23(22)25(30)34)18-4-2-3-5-19(18)28-26(27)35/h2-12,20,22-23,29,32H,13H2,1H3,(H,28,35)
InChIKey
OUHKGQMISZFWAN-UHFFFAOYSA-N
Synonyms

(1R3S3aS6aR)3(4hydroxybenzyl)5(2methyl4nitrophenyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1((4HYDROXYPHENYL)METHYL)5(2METHYL4NITROPHENYL)SPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE331HINDOLE)246TRIONE
3(4hydroxybenzyl)5(2methyl4nitrophenyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C(NC4(C3C2=O)C5=CC=CC=C5NC4=O)CC6=CC=C(C=C6)O
InChI=1SC27H22N4O6c1141216(31(36)37)81121(14)3024(33)2220(13156917(32)10715)2927(23(22)25(30)34)18423519(18)2826(27)35h2122022232932H13H21H3(H2835)
MFCD07201595
Oc1ccc(cc1)C(C@@H)1N(C@@)2((C@H)3(C@@H)1C(=O)N(C3=O)c1ccc(cc1C)(N+)(=O)(O))C(=O)Nc1c2cccc1
Oc1ccc(cc1)CC1NC2(C3C1C(=O)N(C3=O)c1ccc(cc1C)(N+)(=O)(O))C(=O)Nc1c2cccc1
ZINC000016011814
ZINC000106014464

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Available files

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