Vitas-M small molecule compound
4-[(3a'S,6a'R)-5-chloro-3'-(1H-indol-3-ylmethyl)-7-methyl-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl acetate
Catalog ID
STL531823
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(Cl)cc2C
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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 C31H25ClN4O5 MW 569.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25ClN4O5/c1-15-11-18(32)13-22-27(15)34-30(40)31(22)26-25(24(35-31)12-17-14-33-23-6-4-3-5-21(17)23)28(38)36(29(26)39)19-7-9-20(10-8-19)41-16(2)37/h3-11,13-14,24-26,33,35H,12H2,1-2H3,(H,34,40)/t24?,25-,26+,31?/m1/s1InChIKey
XZAAUWRCFUWEIW-WNTIQRTOSA-NSynonyms
956965-18-7(4((3~(a)~(R)6~(a)~(S))5chloro1(1~(H)indol3ylmethyl)7methyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)phenyl)acetate
16405835
4((3aS6aR)3((1Hindol3yl)methyl)5chloro7methyl246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)phenylacetate
4((3aS6aR)5chloro3(1Hindol3ylmethyl)7methyl246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)phenylacetate
956965187
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cc(Cl)cc2C
InChI=1SC31H25ClN4O5c1151118(32)132227(15)3430(40)31(22)2625(24(3531)1217143323643521(17)23)28(38)36(29(26)39)197920(10819)4116(2)37h311131424263335H12H212H3(H3440)t24?2526+31?m1s1
MFCD07637246
ZINC000070705904
ZINC000070705913
Check stock
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Check stock on Vitas-MAvailable files
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