Vitas-M small molecule compound
(1'S,3R,3'S,7a'S)-5''-chloro-1'-[(3-propoxyphenyl)carbonyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Catalog ID
STK592641
SMILES CCCOc1cccc(c1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1
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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 C31H28ClN3O4 MW 542.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O4/c1-2-15-39-20-8-5-7-18(16-20)27(36)26-25-11-6-14-35(25)31(22-17-19(32)12-13-24(22)34-29(31)38)30(26)21-9-3-4-10-23(21)33-28(30)37/h3-5,7-10,12-13,16-17,25-26H,2,6,11,14-15H2,1H3,(H,33,37)(H,34,38)/t25-,26-,30+,31+/m0/s1InChIKey
BLYKJYDYACJDIK-GLKSXAEWSA-NSynonyms
1013982-10-9(1S3R3S7aS)5chloro1((3propoxyphenyl)carbonyl)11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
(1S3R3S7aS)5chloro1((3propoxyphenyl)carbonyl)5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
1013982109
CCCOC1=CC=CC(=C1)C(=O)C2C3CCCN3C4(C25C6=CC=CC=C6NC5=O)C7=C(C=CC(=C7)Cl)NC4=O
CCCOc1cccc(c1)C(=O)(C@@H)1(C@@H)2CCCN2(C@@)2((C@)31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1
InChI=1SC31H28ClN3O4c1215392085718(1620)27(36)26251161435(25)31(221719(32)121324(22)3429(31)38)30(26)219341023(21)3328(30)37h35710121316172526H26111415H21H3(H3337)(H3438)t252630+31+m0s1
ZINC000101333278
ZINC101333278
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.