Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-2-methyl-6-({2-[(2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886044
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)Nc1ccccc1[N+](=O)[O-]
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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 C25H22N4O5S MW 490.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O5S/c1-3-13-34-25(31)22-16(2)27-24(18(14-26)23(22)17-9-5-4-6-10-17)35-15-21(30)28-19-11-7-8-12-20(19)29(32)33/h3-12,23,27H,1,13,15H2,2H3,(H,28,30)InChIKey
ARLOESCOAIJPBF-UHFFFAOYSA-NSynonyms
C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)Nc1ccccc1(N+)(=O)(O)
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2(N+)(=O)(O))C#N)C3=CC=CC=C3)C(=O)OCC=C
InChI=1SC25H22N4O5Sc13133425(31)2216(2)2724(18(1426)23(22)1795461017)351521(30)281911781220(19)29(32)33h3122327H11315H22H3(H2830)
MFCD10086592
prop2en1yl5cyano2methyl6((2((2nitrophenyl)amino)2oxoethyl)sulfanyl)4phenyl14dihydropyridine3carboxylate
prop2enyl5cyano2methyl6(2(2nitroanilino)2oxoethyl)sulfanyl4phenyl14dihydropyridine3carboxylate
ZINC000020347851
ZINC000020347852
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