Vitas-M small molecule compound
propan-2-yl (2Z)-5-amino-6-cyano-2-(4-methoxybenzylidene)-7-(4-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Catalog ID
STK790734
SMILES COc1ccc(cc1)/C=c/1\sc2=C(C(=O)OC(C)C)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1)OC
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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/c1-15(2)35-27(32)23-22(17-7-11-19(34-4)12-8-17)20(14-28)24(29)30-25(31)21(36-26(23)30)13-16-5-9-18(33-3)10-6-16/h5-13,15,22H,29H2,1-4H3/b21-13-InChIKey
LGRVBHZFOYUWRS-BKUYFWCQSA-NSynonyms
(E)isopropyl5amino6cyano2(4methoxybenzylidene)7(4methoxyphenyl)3oxo37dihydro2Hthiazolo(32a)pyridine8carboxylate
CC(C)OC(=O)C1=C2N(C(=C(C1C3=CC=C(C=C3)OC)C#N)N)C(=O)C(=CC4=CC=C(C=C4)OC)S2
COc1ccc(cc1)C=c1sc2=C(C(=O)OC(C)C)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1)OC
InChI=1SC27H25N3O5Sc115(2)3527(32)2322(1771119(344)12817)20(1428)24(29)3025(31)21(3626(23)30)13165918(333)10616h5131522H29H214H3b2113
ISOPROPYL5AMINO6CYANO2(4METHOXYBENZYLIDENE)7(4METHOXYPHENYL)3OXO23DIHYDRO7H(13)THIAZOLO(32A)PYRIDINE8CARBOXYLATE
MFCD01928657
propan2yl(2Z)5amino6cyano2(4methoxybenzylidene)7(4methoxyphenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine8carboxylate
PROPAN2YL(2Z)5AMINO6CYANO7(4METHOXYPHENYL)2((4METHOXYPHENYL)METHYLIDENE)3OXO7H(13)THIAZOLO(32A)PYRIDINE8CARBOXYLATE
ZINC000000989127
ZINC000000989129
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