Vitas-M small molecule compound
ethyl 2-[(3a'S,6a'R)-3'-benzyl-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK586792
SMILES CCOC(=O)c1c(sc2c1CCC2)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cccc2
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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 C30H27N3O5S MW 541.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O5S/c1-2-38-28(36)22-17-11-8-14-21(17)39-27(22)33-25(34)23-20(15-16-9-4-3-5-10-16)32-30(24(23)26(33)35)18-12-6-7-13-19(18)31-29(30)37/h3-7,9-10,12-13,20,23-24,32H,2,8,11,14-15H2,1H3,(H,31,37)/t20?,23-,24+,30?/m1/s1InChIKey
JGIADVWTMSGSDA-JOQNDGBHSA-NSynonyms
1014001-55-81014001558
CCOC(=O)C1=C(SC2=C1CCC2)N3C(=O)C4C(NC5(C4C3=O)C6=CC=CC=C6NC5=O)CC7=CC=CC=C7
CCOC(=O)c1c(sc2c1CCC2)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cccc2
ethyl2((3aR6aS)1benzyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)5yl)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ethyl2((3aS6aR)3benzyl246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ethyl2((3aS6aR)3benzyl246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)56dihydro4Hcyclopenta(b)thiophene3carboxylate
InChI=1SC30H27N3O5Sc123828(36)22171181421(17)3927(22)3325(34)2320(151694351016)3230(24(23)26(33)35)1812671319(18)3129(30)37h37910121320232432H28111415H21H3(H3137)t20?2324+30?m1s1
MFCD06774262
ZINC000101325748
ZINC000101325758
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