Vitas-M small molecule compound
(3a'S,6a'R)-5'-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-3'-(1H-indol-3-ylmethyl)-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
STK577016
SMILES Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)Cc1c[nH]c3c1cccc3)C(=O)N2
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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 C30H23FN4O5 MW 538.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23FN4O5/c31-16-5-7-21-19(12-16)30(29(38)33-21)26-25(22(34-30)11-15-14-32-20-4-2-1-3-18(15)20)27(36)35(28(26)37)17-6-8-23-24(13-17)40-10-9-39-23/h1-8,12-14,22,25-26,32,34H,9-11H2,(H,33,38)/t22?,25-,26+,30?/m1/s1InChIKey
MVVXTFVZMQMITL-XRFLLGRSSA-NSynonyms
1014003-39-4(3aR6aS)5(23dihydro14benzodioxin6yl)5fluoro1(1Hindol3ylmethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)3((1Hindol3yl)methyl)5(23dihydrobenzo(b)(14)dioxin6yl)5fluoro33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5(23dihydro14benzodioxin6yl)5fluoro3(1Hindol3ylmethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014003394
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C(NC5(C4C3=O)C6=C(C=CC(=C6)F)NC5=O)CC7=CNC8=CC=CC=C87
Fc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)Cc1c(nH)c3c1cccc3)C(=O)N2
InChI=1SC30H23FN4O5c3116572119(1216)30(29(38)3321)2625(22(3430)1115143220421318(15)20)27(36)35(28(26)37)17682324(1317)401093923h1812142225263234H911H2(H3338)t22?2526+30?m1s1
MFCD06772385
ZINC000101320764
ZINC000101320776
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