Vitas-M small molecule compound
N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-3-nitro-4-(piperidin-1-yl)benzamide
Catalog ID
STK355551
SMILES N#Cc1c(NC(=S)NC(=O)c2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)sc2c1CCC2
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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 C21H21N5O3S2 MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S2/c22-12-15-14-5-4-6-18(14)31-20(15)24-21(30)23-19(27)13-7-8-16(17(11-13)26(28)29)25-9-2-1-3-10-25/h7-8,11H,1-6,9-10H2,(H2,23,24,27,30)InChIKey
STOVAIAGJQMCEZ-UHFFFAOYSA-NSynonyms
C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C4=C(S3)CCC4)C#N)(N+)(=O)(O)
InChI=1SC21H21N5O3S2c2212151454618(14)3120(15)2421(30)2319(27)137816(17(1113)26(28)29)2592131025h7811H16910H2(H223242730)
MFCD06007498
N#Cc1c(NC(=S)NC(=O)c2ccc(c(c2)(N+)(=O)(O))N2CCCCC2)sc2c1CCC2
N((3cyano56dihydro4Hcyclopenta(b)thiophen2yl)carbamothioyl)3nitro4(piperidin1yl)benzamide
N((3CYANO56DIHYDRO4HCYCLOPENTA(B)THIOPHEN2YL)CARBAMOTHIOYL)3NITRO4PIPERIDIN1YLBENZAMIDE
ZINC000016384455
ZINC16384455
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