Vitas-M small molecule compound
methyl 5-[({6-cyano-8,8-dimethyl-5-[(4-methylphenyl)amino]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl}sulfanyl)methyl]furan-2-carboxylate
Catalog ID
STK586175
SMILES COC(=O)c1ccc(o1)CSc1nnc2n1c(Nc1ccc(cc1)C)c(C#N)c1c2COC(C1)(C)C
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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 C26H25N5O4S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4S/c1-15-5-7-16(8-6-15)28-22-19(12-27)18-11-26(2,3)34-13-20(18)23-29-30-25(31(22)23)36-14-17-9-10-21(35-17)24(32)33-4/h5-10,28H,11,13-14H2,1-4H3InChIKey
SSIILFNWPJAHSH-UHFFFAOYSA-NSynonyms
902051-14-3902051143
CC1=CC=C(C=C1)NC2=C(C3=C(COC(C3)(C)C)C4=NN=C(N24)SCC5=CC=C(O5)C(=O)OC)C#N
InChI=1SC26H25N5O4Sc1155716(8615)282219(1227)181126(23)341320(18)23293025(31(22)23)36141791021(3517)24(32)334h51028H111314H214H3
methyl5(((6cyano88dimethyl5((4methylphenyl)amino)710dihydro8Hpyrano(34c)(124)triazolo(43a)pyridin3yl)sulfanyl)methyl)furan2carboxylate
methyl5(((6cyano88dimethyl5(ptolylamino)810dihydro7Hpyrano(34c)(124)triazolo(43a)pyridin3yl)thio)methyl)furan2carboxylate
MFCD06782448
ZINC000009187836
ZINC09187836
ZINC9187836
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