Vitas-M small molecule compound
methyl 2-[2-amino-3-cyano-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK757831
SMILES N#CC1=C(N)N(C2=C(C1c1cccnc1)C(=O)CCC2)c1sc2c(c1C(=O)OC)CCCCC2
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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 C26H26N4O3S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S/c1-33-26(32)22-16-8-3-2-4-11-20(16)34-25(22)30-18-9-5-10-19(31)23(18)21(17(13-27)24(30)28)15-7-6-12-29-14-15/h6-7,12,14,21H,2-5,8-11,28H2,1H3InChIKey
VUNVOXCDNIHULH-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CCC4
InChI=1SC26H26N4O3Sc13326(32)221683241120(16)3425(22)3018951019(31)23(18)21(17(1327)24(30)28)157612291415h67121421H2581128H21H3
methyl2(2amino3cyano5oxo4(pyridin3yl)5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(2amino3cyano5oxo4pyridin3yl4678tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01305102
ZINC000000714760
ZINC000000714761
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