Vitas-M small molecule compound
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Catalog ID
STK775695
SMILES N#Cc1c(NC(=O)CCCn2ncc(c2)[N+](=O)[O-])sc2c1CCCCC2
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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 C17H19N5O3S MW 373.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O3S/c18-9-14-13-5-2-1-3-6-15(13)26-17(14)20-16(23)7-4-8-21-11-12(10-19-21)22(24)25/h10-11H,1-8H2,(H,20,23)InChIKey
ISWXAAXKFJXNQA-UHFFFAOYSA-NSynonyms
C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCCN3C=C(C=N3)(N+)(=O)(O)
InChI=1SC17H19N5O3Sc18914135213615(13)2617(14)2016(23)748211112(101921)22(24)25h1011H18H2(H2023)
MFCD05257692
N#Cc1c(NC(=O)CCCn2ncc(c2)(N+)(=O)(O))sc2c1CCCCC2
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(4nitro1Hpyrazol1yl)butanamide
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(4nitropyrazol1yl)butanamide
ZINC000004686886
ZINC04686886
ZINC4686886
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