Vitas-M small molecule compound
methyl 2-(1-ethyl-1',2,3'-trioxo-1,1',2,3',3a',6',7',8',8a',8b'-decahydro-2'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizin]-2'-yl)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL235759
SMILES COC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)N(c2c1cccc2)CC
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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 C26H27N3O5S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5S/c1-5-27-16-10-7-6-9-15(16)26(25(27)33)20-19(17-11-8-12-28(17)26)21(30)29(22(20)31)23-18(24(32)34-4)13(2)14(3)35-23/h6-7,9-10,17,19-20H,5,8,11-12H2,1-4H3InChIKey
ZAXCYTAEYWYOIT-UHFFFAOYSA-NSynonyms
CCN1C2=CC=CC=C2C3(C1=O)C4C(C5N3CCC5)C(=O)N(C4=O)C6=C(C(=C(S6)C)C)C(=O)OC
COC(=O)c1c(sc(c1C)C)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)N(c2c1cccc2)CC
InChI=1SC26H27N3O5Sc1527161076915(16)26(25(27)33)2019(171181228(17)26)21(30)29(22(20)31)2318(24(32)344)13(2)14(3)3523h67910171920H581112H214H3
methyl2((3S3aR8aS8bS)1ethyl123trioxo33a6788ahexahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)2(8bH)yl)45dimethylthiophene3carboxylate
methyl2(1ethyl123trioxo11233a6788a8bdecahydro2Hspiro(indole34pyrrolo(34a)pyrrolizin)2yl)45dimethylthiophene3carboxylate
methyl2(1ethyl123trioxospiro(3a6788a8bhexahydropyrrolo(34a)pyrrolizine43indole)2yl)45dimethylthiophene3carboxylate
MFCD07211820
ZINC000035843158
ZINC000249702288
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.