Vitas-M small molecule compound
(3S,3'S,3a'R,6a'S)-5'-(4-fluorophenyl)-3'-[(5-hydroxy-1H-indol-3-yl)methyl]-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
STK610761
SMILES Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(N[C@H]2Cc2c[nH]c3c2cc(O)cc3)C(=O)Nc2c1cccc2
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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 C28H21FN4O4 MW 496.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21FN4O4/c29-15-5-7-16(8-6-15)33-25(35)23-22(11-14-13-30-20-10-9-17(34)12-18(14)20)32-28(24(23)26(33)36)19-3-1-2-4-21(19)31-27(28)37/h1-10,12-13,22-24,30,32,34H,11H2,(H,31,37)/t22-,23-,24+,28+/m0/s1InChIKey
MVAMSCGVQZGYDK-FLSMRUOLSA-NSynonyms
1014066-33-1(1S3S3aR6aS)5(4fluorophenyl)3((5hydroxy1Hindol3yl)methyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(1S3S3aS6aR)5(4fluorophenyl)1((5hydroxy1Hindol3yl)methyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3S3S3aR6aS)5(4fluorophenyl)3((5hydroxy1Hindol3yl)methyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014066331
C1=CC=C2C(=C1)C3(C4C(C(N3)CC5=CNC6=C5C=C(C=C6)O)C(=O)N(C4=O)C7=CC=C(C=C7)F)C(=O)N2
Fc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@)1(N(C@H)2Cc2c(nH)c3c2cc(O)cc3)C(=O)Nc2c1cccc2
InChI=1SC28H21FN4O4c29155716(8615)3325(35)2322(111413302010917(34)1218(14)20)3228(24(23)26(33)36)19312421(19)3127(28)37h11012132224303234H11H2(H3137)t222324+28+m0s1
MFCD08288719
ZINC000020588479
ZINC20588479
Check stock
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Check stock on Vitas-MAvailable files
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