Vitas-M small molecule compound

(1'S,3R,3'S,7a'S)-1'-(1-benzofuran-2-ylcarbonyl)-5''-chloro-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione

Catalog ID
STL530431
SMILES Clc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1cc2c(o1)cccc2

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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 C30H22ClN3O4 MW 523.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22ClN3O4/c31-17-11-12-21-19(15-17)30(28(37)33-21)29(18-7-2-3-8-20(18)32-27(29)36)25(22-9-5-13-34(22)30)26(35)24-14-16-6-1-4-10-23(16)38-24/h1-4,6-8,10-12,14-15,22,25H,5,9,13H2,(H,32,36)(H,33,37)/t22-,25-,29+,30+/m0/s1
InChIKey
GDSMCYYNSVCYKW-RRWMQESRSA-N
Synonyms
956827-23-9
(1S3R3S7aS)1((1benzofuran2yl)carbonyl)5chloro11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
(1S3R3S7aS)1(1benzofuran2ylcarbonyl)5chloro5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
(2~(R))2((2(((2~(Z))2((34dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)propanoicacid
(RZ)2(2((2(34DIMETHOXYBENZYLIDENE)3OXO23DIHYDROBENZOFURAN6YL)OXY)ACETAMIDO)PROPANOICACID
16404958
956827239
Clc1ccc2c(c1)(C@)1(C(=O)N2)N2CCC(C@H)2(C@H)((C@@)21C(=O)Nc1c2cccc1)C(=O)c1cc2c(o1)cccc2
InChI=1SC22H21NO8c112(22(26)27)2320(24)113014561517(1014)3119(21(15)25)9134716(282)18(813)293h41012H11H213H3(H2324)(H2627)b199t12m1s1
MFCD06768533
ZINC000070701233
ZINC70701233

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Available files

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