Vitas-M small molecule compound

2-{(3a'S,6a'R)-7-chloro-5'-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-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
STL530386
SMILES COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3CC(=O)N)C(=O)Nc3c2cc(C)cc3Cl)ccc1OC

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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 C26H27ClN4O6 MW 526.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN4O6/c1-12-8-14-22(15(27)9-12)29-25(35)26(14)21-20(16(30-26)11-19(28)32)23(33)31(24(21)34)7-6-13-4-5-17(36-2)18(10-13)37-3/h4-5,8-10,16,20-21,30H,6-7,11H2,1-3H3,(H2,28,32)(H,29,35)/t16?,20-,21+,26?/m1/s1
InChIKey
YOCPCFLXSNTXKR-USNAGLCPSA-N
Synonyms
956951-73-8
16402015
2((3~(a)~(R)6~(a)~(S))7chloro5(2(34dimethoxyphenyl)ethyl)5methyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)acetamide
2((3aS6aR)7chloro5(2(34dimethoxyphenyl)ethyl)5methyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)acetamide
2((3aS6aR)7chloro5(34dimethoxyphenethyl)5methyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)acetamide
956951738
COc1cc(CCN2C(=O)(C@H)3(C@@H)(C2=O)C2(NC3CC(=O)N)C(=O)Nc3c2cc(C)cc3Cl)ccc1OC
InChI=1SC26H27ClN4O6c11281422(15(27)912)2925(35)26(14)2120(16(3026)1119(28)32)23(33)31(24(21)34)76134517(362)18(1013)373h4581016202130H6711H213H3(H22832)(H2935)t16?2021+26?m1s1
MFCD06492721
ZINC000015956736
ZINC000070692020

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Available files

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