Vitas-M small molecule compound

(3a'S,6a'R)-7-chloro-3'-(1H-indol-3-ylmethyl)-5'-(4-methoxyphenyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

Catalog ID
STL530649
SMILES COc1ccc(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 C29H23ClN4O4 MW 526.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN4O4/c1-38-17-11-9-16(10-12-17)34-26(35)23-22(13-15-14-31-21-8-3-2-5-18(15)21)33-29(24(23)27(34)36)19-6-4-7-20(30)25(19)32-28(29)37/h2-12,14,22-24,31,33H,13H2,1H3,(H,32,37)/t22?,23-,24+,29?/m1/s1
InChIKey
KFGYFUABRHPIOH-WRWAZOQGSA-N
Synonyms
956935-54-9
(3~(a)~(R)6~(a)~(S))7chloro1(1~(H)indol3ylmethyl)5(4methoxyphenyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)3((1Hindol3yl)methyl)7chloro5(4methoxyphenyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)7chloro3(1Hindol3ylmethyl)5(4methoxyphenyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
16404377
956935549
COc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cccc2Cl
InChI=1SC29H23ClN4O4c1381711916(101217)3426(35)2322(1315143121832518(15)21)3329(24(23)27(34)36)1964720(30)25(19)3228(29)37h2121422243133H13H21H3(H3237)t22?2324+29?m1s1
MFCD06766906
ZINC000070700479
ZINC000070700496

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Available files

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