Vitas-M small molecule compound
N-[1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
Catalog ID
STL421668
SMILES CSCCC(c1nc2c(n1C)cccc2)NC(=O)c1[nH]nc2c1CCCCC2
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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 C21H27N5OS MW 397.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5OS/c1-26-18-11-7-6-10-16(18)22-20(26)17(12-13-28-2)23-21(27)19-14-8-4-3-5-9-15(14)24-25-19/h6-7,10-11,17H,3-5,8-9,12-13H2,1-2H3,(H,23,27)(H,24,25)InChIKey
DKMPIUIZSFZQLH-UHFFFAOYSA-NSynonyms
(S)N(1(1methyl1Hbenzo(d)imidazol2yl)3(methylthio)propyl)145678hexahydrocyclohepta(c)pyrazole3carboxamide
CN1C2=CC=CC=C2N=C1C(CCSC)NC(=O)C3=NNC4=C3CCCCC4
CSCC(C@@H)(c1nc2c(n1C)cccc2)NC(=O)c1n(nH)c2c1CCCCC2
CSCCC(c1nc2c(n1C)cccc2)NC(=O)c1(nH)nc2c1CCCCC2
InChI=1SC21H27N5OSc1261811761016(18)2220(26)17(1213282)2321(27)19148435915(14)242519h67101117H35891213H212H3(H2327)(H2425)
MFCD30707675
N(1(1methyl1Hbenzimidazol2yl)3(methylsulfanyl)propyl)245678hexahydrocyclohepta(c)pyrazole3carboxamide
N(1(1methylbenzimidazol2yl)3methylsulfanylpropyl)145678hexahydrocyclohepta(c)pyrazole3carboxamide
ZINC000218212293
ZINC000252527809
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