Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Catalog ID
STK340917
SMILES N#Cc1c(NC(=O)CCCn2nc(c(c2C)[N+](=O)[O-])C)sc2c1CCCC2
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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 C18H21N5O3S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5O3S/c1-11-17(23(25)26)12(2)22(21-11)9-5-8-16(24)20-18-14(10-19)13-6-3-4-7-15(13)27-18/h3-9H2,1-2H3,(H,20,24)InChIKey
BRFLGRRUGJNXEM-UHFFFAOYSA-NSynonyms
897543-46-3897543463
CC1=C(C(=NN1CCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C)(N+)(=O)(O)
InChI=1SC18H21N5O3Sc11117(23(25)26)12(2)22(2111)95816(24)201814(1019)13634715(13)2718h39H212H3(H2024)
MFCD05027020
N#Cc1c(NC(=O)CCCn2nc(c(c2C)(N+)(=O)(O))C)sc2c1CCCC2
N(3cyano4567tetrahydro1benzothiophen2yl)4(35dimethyl4nitro1Hpyrazol1yl)butanamide
N(3cyano4567tetrahydro1benzothiophen2yl)4(35dimethyl4nitropyrazol1yl)butanamide
ZINC000001430654
ZINC01430654
ZINC1430654
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