Vitas-M small molecule compound
3-{(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}propanoic acid
Catalog ID
STL533141
SMILES COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3CCC(=O)O)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 C27H28ClN3O7 MW 541.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O7/c1-13-10-15-23(16(28)11-13)29-26(36)27(15)22-21(17(30-27)5-7-20(32)33)24(34)31(25(22)35)9-8-14-4-6-18(37-2)19(12-14)38-3/h4,6,10-12,17,21-22,30H,5,7-9H2,1-3H3,(H,29,36)(H,32,33)/t17?,21-,22+,27?/m1/s1InChIKey
PXJBKSHAMFYIAA-VKKUGUIDSA-NSynonyms
956824-21-816402657
3((3~(a)~(R)6~(a)~(S))7chloro5(2(34dimethoxyphenyl)ethyl)5methyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)7chloro5(2(34dimethoxyphenyl)ethyl)5methyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)7chloro5(34dimethoxyphenethyl)5methyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
956824218
COc1cc(CCN2C(=O)(C@H)3(C@@H)(C2=O)C2(NC3CCC(=O)O)C(=O)Nc3c2cc(C)cc3Cl)ccc1OC
InChI=1SC27H28ClN3O7c113101523(16(28)1113)2926(36)27(15)2221(17(3027)5720(32)33)24(34)31(25(22)35)98144618(372)19(1214)383h46101217212230H579H213H3(H2936)(H3233)t17?2122+27?m1s1
MFCD06494107
ZINC000002130602
ZINC000002130606
Check stock
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Check stock on Vitas-MAvailable files
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