Vitas-M small molecule compound
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Catalog ID
STK785508
SMILES N#Cc1c(NC(=O)CCCn2ncc(c2)[N+](=O)[O-])sc2c1CCCCCC2
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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/c19-10-15-14-6-3-1-2-4-7-16(14)27-18(15)21-17(24)8-5-9-22-12-13(11-20-22)23(25)26/h11-12H,1-9H2,(H,21,24)InChIKey
VIJBSTHAHKQWAS-UHFFFAOYSA-NSynonyms
C1CCCC2=C(CC1)C(=C(S2)NC(=O)CCCN3C=C(C=N3)(N+)(=O)(O))C#N
InChI=1SC18H21N5O3Sc1910151463124716(14)2718(15)2117(24)859221213(112022)23(25)26h1112H19H2(H2124)
MFCD07658916
N#Cc1c(NC(=O)CCCn2ncc(c2)(N+)(=O)(O))sc2c1CCCCCC2
N(3cyano456789hexahydrocycloocta(b)thiophen2yl)4(4nitro1Hpyrazol1yl)butanamide
N(3cyano456789hexahydrocycloocta(b)thiophen2yl)4(4nitropyrazol1yl)butanamide
ZINC000004784826
ZINC04784826
ZINC4784826
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