Vitas-M small molecule compound
(3a'S,6a'R)-7-chloro-3'-(3,4-dihydroxybenzyl)-5-methyl-5'-(2-phenylethyl)-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
STL533550
SMILES Cc1cc(Cl)c2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)Cc1ccc(c(c1)O)O)C(=O)N2
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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 C29H26ClN3O5 MW 532.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O5/c1-15-11-18-25(19(30)12-15)31-28(38)29(18)24-23(20(32-29)13-17-7-8-21(34)22(35)14-17)26(36)33(27(24)37)10-9-16-5-3-2-4-6-16/h2-8,11-12,14,20,23-24,32,34-35H,9-10,13H2,1H3,(H,31,38)/t20?,23-,24+,29?/m1/s1InChIKey
BYYJLNYWJSYSKQ-YQKSCKDHSA-NSynonyms
957019-13-5(3~(a)~(R)6~(a)~(S))7chloro1((34dihydroxyphenyl)methyl)5methyl5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)7chloro3(34dihydroxybenzyl)5methyl5(2phenylethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)7chloro3(34dihydroxybenzyl)5methyl5phenethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16403586
957019135
Cc1cc(Cl)c2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)CCc1ccccc1)Cc1ccc(c(c1)O)O)C(=O)N2
InChI=1SC29H26ClN3O5c115111825(19(30)1215)3128(38)29(18)2423(20(3229)13177821(34)22(35)1417)26(36)33(27(24)37)109165324616h28111214202324323435H91013H21H3(H3138)t20?2324+29?m1s1
MFCD06764690
ZINC000070698944
ZINC000070698958
Check stock
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Check stock on Vitas-MAvailable files
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