Vitas-M small molecule compound

2-[(3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-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
STL531459
SMILES CCc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)CC(=O)N)C(=O)N2

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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 C25H24N4O6 MW 476.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O6/c1-2-12-3-5-15-14(7-12)25(24(33)27-15)21-20(16(28-25)9-19(26)30)22(31)29(23(21)32)10-13-4-6-17-18(8-13)35-11-34-17/h3-8,16,20-21,28H,2,9-11H2,1H3,(H2,26,30)(H,27,33)/t16?,20-,21+,25?/m1/s1
InChIKey
RRKLNWQPVHKBCB-LEXRWVGZSA-N
Synonyms
956956-94-8
16404451
2((3~(a)~(R)6~(a)~(S))5(13benzodioxol5ylmethyl)5ethyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)acetamide
2((3aS6aR)5(13benzodioxol5ylmethyl)5ethyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)acetamide
2((3aS6aR)5(benzo(d)(13)dioxol5ylmethyl)5ethyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)acetamide
956956948
CCc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)CC(=O)N)C(=O)N2
InChI=1SC25H24N4O6c1212351514(712)25(24(33)2715)2120(16(2825)919(26)30)22(31)29(23(21)32)1013461718(813)35113417h3816202128H2911H21H3(H22630)(H2733)t16?2021+25?m1s1
MFCD06767135
ZINC000016032987
ZINC000016032990

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Available files

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