Vitas-M small molecule compound
ethyl 4-[(3a'S,6a'R)-5-chloro-3'-(1H-indol-3-ylmethyl)-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]benzoate
Catalog ID
STK576728
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(Cl)cc2
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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/c1-2-41-29(39)16-7-10-19(11-8-16)36-27(37)25-24(13-17-15-33-22-6-4-3-5-20(17)22)35-31(26(25)28(36)38)21-14-18(32)9-12-23(21)34-30(31)40/h3-12,14-15,24-26,33,35H,2,13H2,1H3,(H,34,40)/t24?,25-,26+,31?/m1/s1InChIKey
IWNNBOZOHOTNLA-WNTIQRTOSA-NSynonyms
1014084-08-21014084082
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)Cl)NC4=O)CC6=CNC7=CC=CC=C76
CCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cc(Cl)cc2
ethyl4((3aR6aS)5chloro1(1Hindol3ylmethyl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)5yl)benzoate
ethyl4((3aS6aR)3((1Hindol3yl)methyl)5chloro246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
ethyl4((3aS6aR)5chloro3(1Hindol3ylmethyl)246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
InChI=1SC31H25ClN4O5c124129(39)1671019(11816)3627(37)2524(1317153322643520(17)22)3531(26(25)28(36)38)211418(32)91223(21)3430(31)40h312141524263335H213H21H3(H3440)t24?2526+31?m1s1
MFCD07641996
ZINC000101111359
ZINC000101111364
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