Vitas-M small molecule compound

4-[(3a'S,6a'R)-3'-(3,4-dihydroxybenzyl)-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
STL531423
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cccc2

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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 C28H23N3O7 MW 513.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O7/c1-14(32)38-17-9-7-16(8-10-17)31-25(35)23-20(12-15-6-11-21(33)22(34)13-15)30-28(24(23)26(31)36)18-4-2-3-5-19(18)29-27(28)37/h2-11,13,20,23-24,30,33-34H,12H2,1H3,(H,29,37)/t20?,23-,24+,28?/m1/s1
InChIKey
ISQZJESVIRGBDJ-IHPLILTRSA-N
Synonyms
956813-41-5
(4((3~(a)~(R)6~(a)~(S))1((34dihydroxyphenyl)methyl)246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)phenyl)acetate
16403643
4((3aS6aR)3(34dihydroxybenzyl)246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)phenylacetate
4((3aS6aR)3(34dihydroxybenzyl)246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)phenylacetate
956813415
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cccc2
InChI=1SC28H23N3O7c114(32)38179716(81017)3125(35)2320(121561121(33)22(34)1315)3028(24(23)26(31)36)18423519(18)2927(28)37h21113202324303334H12H21H3(H2937)t20?2324+28?m1s1
MFCD06764871
ZINC000015959274
ZINC000035363868

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Available files

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