Vitas-M small molecule compound

2-[(3a'S,6a'R)-5-bromo-5'-tert-butyl-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
STK588717
SMILES NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cc(Br)cc1

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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 C19H21BrN4O4 MW 449.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrN4O4/c1-18(2,3)24-15(26)13-11(7-12(21)25)23-19(14(13)16(24)27)9-6-8(20)4-5-10(9)22-17(19)28/h4-6,11,13-14,23H,7H2,1-3H3,(H2,21,25)(H,22,28)/t11?,13-,14+,19?/m1/s1
InChIKey
CVXVPBYFEXYYOY-ARUQAQHTSA-N
Synonyms
1014022-10-6
1014022106
2((3aR6aS)5bromo5tertbutyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)acetamide
2((3aS6aR)5bromo5(tertbutyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)acetamide
2((3aS6aR)5bromo5tertbutyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)acetamide
CC(C)(C)N1C(=O)C2C(NC3(C2C1=O)C4=C(C=CC(=C4)Br)NC3=O)CC(=O)N
InChI=1SC19H21BrN4O4c118(23)2415(26)1311(712(21)25)2319(14(13)16(24)27)968(20)4510(9)2217(19)28h4611131423H7H213H3(H22125)(H2228)t11?1314+19?m1s1
MFCD06787033
NC(=O)CC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cc(Br)cc1
ZINC000016034089
ZINC000020548959

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.