Vitas-M small molecule compound
(3a'S,6a'R)-7-chloro-5'-(3-methoxypropyl)-3'-(2-methylpropyl)-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
STK576055
SMILES COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(C)C)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 C21H26ClN3O4 MW 419.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClN3O4/c1-11(2)10-14-15-16(19(27)25(18(15)26)8-5-9-29-3)21(24-14)12-6-4-7-13(22)17(12)23-20(21)28/h4,6-7,11,14-16,24H,5,8-10H2,1-3H3,(H,23,28)/t14?,15-,16+,21?/m1/s1InChIKey
KYZBMKUVKDJACM-WZHMAMEKSA-NSynonyms
1212439-36-5(3aR6aS)7chloro5(3methoxypropyl)1(2methylpropyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)7chloro3isobutyl5(3methoxypropyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)7chloro5(3methoxypropyl)3(2methylpropyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1212439365
CC(C)CC1C2C(C(=O)N(C2=O)CCCOC)C3(N1)C4=C(C(=CC=C4)Cl)NC3=O
COCCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CC(C)C)C(=O)Nc2c1cccc2Cl
InChI=1SC21H26ClN3O4c111(2)10141516(19(27)25(18(15)26)859293)21(2414)1264713(22)17(12)2320(21)28h46711141624H5810H213H3(H2328)t14?1516+21?m1s1
MFCD06785975
ZINC000005345814
ZINC000005345817
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.