Vitas-M small molecule compound
4-[(3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-5,7-dimethyl-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl acetate
Catalog ID
STK599012
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(C)cc2C
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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 C32H28N4O5 MW 548.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N4O5/c1-16-12-17(2)28-23(13-16)32(31(40)34-28)27-26(25(35-32)14-19-15-33-24-7-5-4-6-22(19)24)29(38)36(30(27)39)20-8-10-21(11-9-20)41-18(3)37/h4-13,15,25-27,33,35H,14H2,1-3H3,(H,34,40)/t25?,26-,27+,32?/m1/s1InChIKey
XGQZEHCONMMZNW-XKOGGIFOSA-NSynonyms
1014021-85-2(4((3aR6aS)1(1Hindol3ylmethyl)57dimethyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)5yl)phenyl)acetate
1014021852
4((3aS6aR)3((1Hindol3yl)methyl)57dimethyl246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)phenylacetate
4((3aS6aR)3(1Hindol3ylmethyl)57dimethyl246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)phenylacetate
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cc(C)cc2C
CC1=CC(=C2C(=C1)C3(C4C(C(N3)CC5=CNC6=CC=CC=C65)C(=O)N(C4=O)C7=CC=C(C=C7)OC(=O)C)C(=O)N2)C
InChI=1SC32H28N4O5c1161217(2)2823(1316)32(31(40)3428)2726(25(3532)1419153324754622(19)24)29(38)36(30(27)39)2081021(11920)4118(3)37h4131525273335H14H213H3(H3440)t25?2627+32?m1s1
MFCD07641534
ZINC000101110110
ZINC000101110116
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