Vitas-M small molecule compound

4-[(3a'S,6a'R)-3'-(3-amino-3-oxopropyl)-6-chloro-7-methyl-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
STL532248
SMILES NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)OC(=O)C)C(=O)Nc1c2ccc(c1C)Cl

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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 C25H23ClN4O6 MW 510.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O6/c1-11-16(26)8-7-15-21(11)28-24(35)25(15)20-19(17(29-25)9-10-18(27)32)22(33)30(23(20)34)13-3-5-14(6-4-13)36-12(2)31/h3-8,17,19-20,29H,9-10H2,1-2H3,(H2,27,32)(H,28,35)/t17?,19-,20+,25?/m1/s1
InChIKey
CYEDUMLTSBWXIT-UIMQCXHPSA-N
Synonyms
956941-16-5
(4((3~(a)~(R)6~(a)~(S))1(3amino3oxopropyl)6chloro7methyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)phenyl)acetate
16403270
4((3aS6aR)3(3amino3oxopropyl)6chloro7methyl246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)phenylacetate
4((3aS6aR)3(3amino3oxopropyl)6chloro7methyl246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)phenylacetate
956941165
InChI=1SC25H23ClN4O6c11116(26)871521(11)2824(35)25(15)2019(17(2925)91018(27)32)22(33)30(23(20)34)133514(6413)3612(2)31h3817192029H910H212H3(H22732)(H2835)t17?1920+25?m1s1
MFCD06495453
NC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)c1ccc(cc1)OC(=O)C)C(=O)Nc1c2ccc(c1C)Cl
ZINC000015958681
ZINC000020611583

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Available files

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