Vitas-M small molecule compound
(3a'S,6a'R)-5'-[2-(3,4-dimethoxyphenyl)ethyl]-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
STK575304
SMILES COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3Cc3c[nH]c4c3cccc4)C(=O)Nc3c2cc(F)cc3)ccc1OC
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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 C32H29FN4O5 MW 568.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29FN4O5/c1-41-25-10-7-17(13-26(25)42-2)11-12-37-29(38)27-24(14-18-16-34-22-6-4-3-5-20(18)22)36-32(28(27)30(37)39)21-15-19(33)8-9-23(21)35-31(32)40/h3-10,13,15-16,24,27-28,34,36H,11-12,14H2,1-2H3,(H,35,40)/t24?,27-,28+,32?/m1/s1InChIKey
BIJSPWHNVUCAIE-GTEIALQBSA-NSynonyms
1212474-91-3(3aR6aS)5(2(34dimethoxyphenyl)ethyl)5fluoro1(1Hindol3ylmethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)3((1Hindol3yl)methyl)5(34dimethoxyphenethyl)5fluoro33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5(2(34dimethoxyphenyl)ethyl)5fluoro3(1Hindol3ylmethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1212474913
COC1=C(C=C(C=C1)CCN2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)F)NC4=O)CC6=CNC7=CC=CC=C76)OC
COc1cc(CCN2C(=O)(C@H)3(C@@H)(C2=O)C2(NC3Cc3c(nH)c4c3cccc4)C(=O)Nc3c2cc(F)cc3)ccc1OC
InChI=1SC32H29FN4O5c1412510717(1326(25)422)11123729(38)2724(1418163422643520(18)22)3632(28(27)30(37)39)211519(33)8923(21)3531(32)40h3101315162427283436H111214H212H3(H3540)t24?2728+32?m1s1
MFCD18158071
ZINC000101672133
ZINC000101672142
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