Vitas-M small molecule compound
ethyl 4-[(3a'S,6a'R)-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
STK581568
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cccc2
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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 C31H26N4O5 MW 534.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N4O5/c1-2-40-29(38)17-11-13-19(14-12-17)35-27(36)25-24(15-18-16-32-22-9-5-3-7-20(18)22)34-31(26(25)28(35)37)21-8-4-6-10-23(21)33-30(31)39/h3-14,16,24-26,32,34H,2,15H2,1H3,(H,33,39)/t24?,25-,26+,31?/m1/s1InChIKey
JCADTVNRVQLKOR-WNTIQRTOSA-NSynonyms
1014063-81-01014063810
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(NC4(C3C2=O)C5=CC=CC=C5NC4=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)Nc2c1cccc2
ethyl4((3aR6aS)1(1Hindol3ylmethyl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)5yl)benzoate
ethyl4((3aS6aR)3((1Hindol3yl)methyl)246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
ethyl4((3aS6aR)3(1Hindol3ylmethyl)246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
InChI=1SC31H26N4O5c124029(38)17111319(141217)3527(36)2524(1518163222953720(18)22)3431(26(25)28(35)37)218461023(21)3330(31)39h3141624263234H215H21H3(H3339)t24?2526+31?m1s1
MFCD07641913
ZINC000101111157
ZINC000101111163
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