Vitas-M small molecule compound
(3a'S,6a'R)-5'-butyl-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
STK598291
SMILES CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(F)cc2
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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 C26H25FN4O3 MW 460.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25FN4O3/c1-2-3-10-31-23(32)21-20(11-14-13-28-18-7-5-4-6-16(14)18)30-26(22(21)24(31)33)17-12-15(27)8-9-19(17)29-25(26)34/h4-9,12-13,20-22,28,30H,2-3,10-11H2,1H3,(H,29,34)/t20?,21-,22+,26?/m1/s1InChIKey
KDSKQPRUCKOGCE-YPHDTHBOSA-NSynonyms
1013755-39-9(3aR6aS)5butyl5fluoro1(1Hindol3ylmethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)3((1Hindol3yl)methyl)5butyl5fluoro33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5butyl5fluoro3(1Hindol3ylmethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1013755399
CCCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cc(F)cc2
CCCCN1C(=O)C2C(NC3(C2C1=O)C4=C(C=CC(=C4)F)NC3=O)CC5=CNC6=CC=CC=C65
InChI=1SC26H25FN4O3c123103123(32)2120(1114132818754616(14)18)3026(22(21)24(31)33)171215(27)8919(17)2925(26)34h49121320222830H231011H21H3(H2934)t20?2122+26?m1s1
MFCD06794337
ZINC000016025191
ZINC000020567209
Check stock
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Check stock on Vitas-MAvailable files
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