Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-7-chloro-5-methyl-2'-(naphthalen-2-yl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione

Catalog ID
STL007356
SMILES Cc1cc(Cl)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)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 C27H22ClN3O3 MW 471.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O3/c1-14-11-18-23(19(28)12-14)29-26(34)27(18)22-21(20-7-4-10-30(20)27)24(32)31(25(22)33)17-9-8-15-5-2-3-6-16(15)13-17/h2-3,5-6,8-9,11-13,20-22H,4,7,10H2,1H3,(H,29,34)/t20-,21+,22-,27+/m0/s1
InChIKey
NTKJKHWYHWYGFP-JLFWUPFSSA-N
Synonyms
1014083-92-1
(3S3aR8aS8bS)7chloro5methyl2(naphthalen2yl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)7chloro5methyl2(naphthalen2yl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)7chloro5methyl2naphthalen2ylspiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1014083921
CC1=CC(=C2C(=C1)C3(C4C(C5N3CCC5)C(=O)N(C4=O)C6=CC7=CC=CC=C7C=C6)C(=O)N2)Cl
Cc1cc(Cl)c2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)cccc2
InChI=1SC27H22ClN3O3c114111823(19(28)1214)2926(34)27(18)2221(20741030(20)27)24(32)31(25(22)33)179815523616(15)1317h23568911132022H4710H21H3(H2934)t2021+2227+m0s1
MFCD18247163
ZINC000016013265
ZINC16013265

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Available files

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