Vitas-M small molecule compound
(4R)-5-acetyl-6-methyl-4-(2-nitrophenyl)-2-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Catalog ID
STK834071
SMILES N#CC1=C(SCC(=O)C23CC4CC(C3)CC(C2)C4)NC(=C([C@H]1c1ccccc1[N+](=O)[O-])C(=O)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 C27H29N3O4S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S/c1-15-24(16(2)31)25(20-5-3-4-6-22(20)30(33)34)21(13-28)26(29-15)35-14-23(32)27-10-17-7-18(11-27)9-19(8-17)12-27/h3-6,17-19,25,29H,7-12,14H2,1-2H3/t17?,18?,19?,25-,27?/m0/s1InChIKey
PRQRNPUNLALXHA-OQAHHZTMSA-NSynonyms
303102-01-4(4R)5acetyl2(2(1adamantyl)2oxoethyl)sulfanyl6methyl4(2nitrophenyl)14dihydropyridine3carbonitrile
(4R)5acetyl6methyl4(2nitrophenyl)2((2oxo2(tricyclo(3311~37~)dec1yl)ethyl)sulfanyl)14dihydropyridine3carbonitrile
(R)5acetyl2((2((3R5R7R)adamantan1yl)2oxoethyl)thio)6methyl4(2nitrophenyl)14dihydropyridine3carbonitrile
303102014
CC1=C(C(C(=C(N1)SCC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C5=CC=CC=C5(N+)(=O)(O))C(=O)C
InChI=1SC27H29N3O4Sc11524(16(2)31)25(20534622(20)30(33)34)21(1328)26(2915)351423(32)271017718(1127)919(817)1227h3617192529H71214H212H3t17?18?19?2527?m0s1
MFCD18247009
N#CC1=C(SCC(=O)C23CC4CC(C3)CC(C2)C4)NC(=C((C@H)1c1ccccc1(N+)(=O)(O))C(=O)C)C
ZINC000008934505
ZINC08934505
ZINC8934505
Check stock
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Check stock on Vitas-MAvailable files
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