Vitas-M small molecule compound
2-[(3a'S,6a'R)-5'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,7-dimethyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Catalog ID
STK594055
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1ccc(c2C)C
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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 C26H25N5O4S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4S/c1-11-7-8-15-21(12(11)2)29-25(35)26(15)20-19(16(30-26)9-18(28)32)22(33)31(23(20)34)24-14(10-27)13-5-3-4-6-17(13)36-24/h7-8,16,19-20,30H,3-6,9H2,1-2H3,(H2,28,32)(H,29,35)/t16?,19-,20+,26?/m1/s1InChIKey
HTDWURKTYZHNCE-OANFGYCUSA-NSynonyms
958946-10-62((3aR6aS)5(3cyano4567tetrahydro1benzothiophen2yl)67dimethyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)acetamide
2((3aS6aR)5(3cyano4567tetrahydro1benzothiophen2yl)67dimethyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)acetamide
2((3aS6aR)5(3cyano4567tetrahydrobenzo(b)thiophen2yl)67dimethyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)acetamide
958946106
CC1=C(C2=C(C=C1)C3(C4C(C(N3)CC(=O)N)C(=O)N(C4=O)C5=C(C6=C(S5)CCCC6)C#N)C(=O)N2)C
InChI=1SC26H25N5O4Sc111781521(12(11)2)2925(35)26(15)2019(16(3026)918(28)32)22(33)31(23(20)34)2414(1027)13534617(13)3624h7816192030H369H212H3(H22832)(H2935)t16?1920+26?m1s1
MFCD06604671
N#Cc1c(sc2c1CCCC2)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1ccc(c2C)C
ZINC000016011794
ZINC000016011798
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