Vitas-M small molecule compound

N-{4-[(3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-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}acetamide

Catalog ID
STK588206
SMILES CC(=O)Nc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)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 C30H25N5O4 MW 519.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O4/c1-16(36)32-18-10-12-19(13-11-18)35-27(37)25-24(14-17-15-31-22-8-4-2-6-20(17)22)34-30(26(25)28(35)38)21-7-3-5-9-23(21)33-29(30)39/h2-13,15,24-26,31,34H,14H2,1H3,(H,32,36)(H,33,39)/t24?,25-,26+,30?/m1/s1
InChIKey
NTGOAKKICKTSBY-BBYYJEGRSA-N
Synonyms
1014063-55-8
1014063558
CC(=O)NC1=CC=C(C=C1)N2C(=O)C3C(NC4(C3C2=O)C5=CC=CC=C5NC4=O)CC6=CNC7=CC=CC=C76
CC(=O)Nc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cccc2
InChI=1SC30H25N5O4c116(36)3218101219(131118)3527(37)2524(1417153122842620(17)22)3430(26(25)28(35)38)21735923(21)3329(30)39h2131524263134H14H21H3(H3236)(H3339)t24?2526+30?m1s1
MFCD07641902
N(4((3aR6aS)1(1Hindol3ylmethyl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)5yl)phenyl)acetamide
N(4((3aS6aR)3((1Hindol3yl)methyl)246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)phenyl)acetamide
N(4((3aS6aR)3(1Hindol3ylmethyl)246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)phenyl)acetamide
ZINC000035828094
ZINC000101392222

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Available files

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