Vitas-M small molecule compound
ethyl 4-[(3a'S,6a'R)-7-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
STL533706
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cccc2Cl
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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)16-10-12-18(13-11-16)36-27(37)24-23(14-17-15-33-22-9-4-3-6-19(17)22)35-31(25(24)28(36)38)20-7-5-8-21(32)26(20)34-30(31)40/h3-13,15,23-25,33,35H,2,14H2,1H3,(H,34,40)/t23?,24-,25+,31?/m1/s1InChIKey
AXOWKBARDCNFGR-SMSNLBQKSA-NSynonyms
956947-16-316406036
956947163
CCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cccc2Cl
ethyl4((3~(a)~(R)6~(a)~(S))7chloro1(1~(H)indol3ylmethyl)246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)benzoate
ethyl4((3aS6aR)3((1Hindol3yl)methyl)7chloro246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
ethyl4((3aS6aR)7chloro3(1Hindol3ylmethyl)246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
InChI=1SC31H25ClN4O5c124129(39)16101218(131116)3627(37)2423(1417153322943619(17)22)3531(25(24)28(36)38)2075821(32)26(20)3430(31)40h3131523253335H214H21H3(H3440)t23?2425+31?m1s1
MFCD07637393
ZINC000070706700
ZINC000070706709
Check stock
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