Vitas-M small molecule compound

methyl 2-[(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
STL531287
SMILES COC(=O)c1ccccc1N1C(=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 C30H23ClN4O5 MW 554.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23ClN4O5/c1-40-28(38)17-8-3-5-12-22(17)35-26(36)23-21(13-15-14-32-20-11-4-2-7-16(15)20)34-30(24(23)27(35)37)18-9-6-10-19(31)25(18)33-29(30)39/h2-12,14,21,23-24,32,34H,13H2,1H3,(H,33,39)/t21?,23-,24+,30?/m1/s1
InChIKey
YCGSGWVEFHDMJF-QZOIOFRLSA-N
Synonyms
956927-25-6
16405815
956927256
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cccc2Cl
InChI=1SC30H23ClN4O5c14028(38)178351222(17)3526(36)2321(13151432201142716(15)20)3430(24(23)27(35)37)18961019(31)25(18)3329(30)39h212142123243234H13H21H3(H3339)t21?2324+30?m1s1
methyl2((3~(a)~(R)6~(a)~(S))7chloro1(1~(H)indol3ylmethyl)246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)benzoate
methyl2((3aS6aR)3((1Hindol3yl)methyl)7chloro246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
methyl2((3aS6aR)7chloro3(1Hindol3ylmethyl)246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
MFCD07637235
ZINC000070705824
ZINC000070705832

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Available files

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