Vitas-M small molecule compound
3-[(3R,3'S,3a'S,6a'R)-2,4',6'-trioxo-5'-phenyl-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoic acid
Catalog ID
STL532603
SMILES OC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1)C(=O)Nc1c2cccc1
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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 C22H19N3O5 MW 405.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5/c26-16(27)11-10-15-17-18(20(29)25(19(17)28)12-6-2-1-3-7-12)22(24-15)13-8-4-5-9-14(13)23-21(22)30/h1-9,15,17-18,24H,10-11H2,(H,23,30)(H,26,27)/t15-,17+,18-,22-/m0/s1InChIKey
CQWDSCMPWGZWSB-PBWVOLNLSA-NSynonyms
956337-78-311876356
3((1~(S)3~(R)3~(a)~(R)6~(a)~(S))246trioxo5phenylspiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((1R3S3aS6aR)246trioxo5phenyl33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3R3S3aS6aR)246trioxo5phenyl1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
956337783
InChI=1SC22H19N3O5c2616(27)1110151718(20(29)25(19(17)28)126213712)22(2415)13845914(13)2321(22)30h1915171824H1011H2(H2330)(H2627)t1517+1822m0s1
ZINC000004083499
ZINC4083499
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