Vitas-M small molecule compound
ethyl (2E)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK878704
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C\1/c3ccccc3N(C1=O)CC)/s2
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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 C27H25N3O4S2 MW 519.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S2/c1-5-29-19-10-8-7-9-18(19)21(24(29)31)23-25(32)30-22(16-11-13-17(35-4)14-12-16)20(26(33)34-6-2)15(3)28-27(30)36-23/h7-14,22H,5-6H2,1-4H3/b23-21+InChIKey
XHHDIVPMSCJDPV-XTQSDGFTSA-NSynonyms
CCN1C2=CC=CC=C2C(=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC=C(C=C5)SC)C1=O
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)c(=C1c3ccccc3N(C1=O)CC)s2
ethyl(2E)2(1ethyl2oxo12dihydro3Hindol3ylidene)7methyl5(4(methylsulfanyl)phenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2(1ETHYL2OXOINDOL3YLIDENE)7METHYL5(4METHYLSULFANYLPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H25N3O4S2c1529191087918(19)21(24(29)31)2325(32)3022(16111317(354)141216)20(26(33)3462)15(3)2827(30)3623h71422H56H214H3b2321+
MFCD18170360
ZINC000001466793
ZINC000001466795
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