Vitas-M small molecule compound
methyl (2Z)-5-amino-6-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Catalog ID
STL361861
SMILES CCOc1ccc(cc1)/C=c/1\sc2=C(C(=O)OC)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1)OCC
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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 C27H25N3O5S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5S/c1-4-34-18-10-6-16(7-11-18)14-21-25(31)30-24(29)20(15-28)22(23(26(30)36-21)27(32)33-3)17-8-12-19(13-9-17)35-5-2/h6-14,22H,4-5,29H2,1-3H3/b21-14-InChIKey
XNNUUENZPSLMIN-STZFKDTASA-NSynonyms
(E)methyl5amino6cyano2(4ethoxybenzylidene)7(4ethoxyphenyl)3oxo37dihydro2Hthiazolo(32a)pyridine8carboxylate
CCOC1=CC=C(C=C1)C=C2C(=O)N3C(=C(C(C(=C3S2)C(=O)OC)C4=CC=C(C=C4)OCC)C#N)N
CCOc1ccc(cc1)C=c1sc2=C(C(=O)OC)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1)OCC
InChI=1SC27H25N3O5Sc14341810616(71118)142125(31)3024(29)20(1528)22(23(26(30)3621)27(32)333)1781219(13917)3552h61422H4529H213H3b2114
methyl(2Z)5amino6cyano2(4ethoxybenzylidene)7(4ethoxyphenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine8carboxylate
methyl(2Z)5amino6cyano7(4ethoxyphenyl)2((4ethoxyphenyl)methylidene)3oxo7H(13)thiazolo(32a)pyridine8carboxylate
MFCD01197818
ZINC000095471726
ZINC000095471727
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