Vitas-M small molecule compound
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Catalog ID
STL386965
SMILES N#Cc1c(NC(=O)Cn2nc(c(c2C)Cl)[N+](=O)[O-])sc2c1CCC(C2)C(C)(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 C19H22ClN5O3S MW 435.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN5O3S/c1-10-16(20)17(25(27)28)23-24(10)9-15(26)22-18-13(8-21)12-6-5-11(19(2,3)4)7-14(12)29-18/h11H,5-7,9H2,1-4H3,(H,22,26)InChIKey
AYPJMSUZCBUNPD-UHFFFAOYSA-NSynonyms
355805-01-5355805015
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)(N+)(=O)(O))Cl
InChI=1SC19H22ClN5O3Sc11016(20)17(25(27)28)2324(10)915(26)221813(821)126511(19(23)4)714(12)2918h11H579H214H3(H2226)
MFCD01450676
N#Cc1c(NC(=O)Cn2nc(c(c2C)Cl)(N+)(=O)(O))sc2c1CCC(C2)C(C)(C)C
N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)2(4chloro5methyl3nitro1Hpyrazol1yl)acetamide
N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)2(4chloro5methyl3nitropyrazol1yl)acetamide
ZINC000000845105
ZINC000000845106
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