Vitas-M small molecule compound
N-{2-[1-(2-methoxyethyl)-1H-benzimidazol-2-yl]ethyl}-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
Catalog ID
STL422687
SMILES COCCn1c(CCNC(=O)c2[nH]nc3c2CCCCC3)nc2c1cccc2
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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 C21H27N5O2 MW 381.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O2/c1-28-14-13-26-18-10-6-5-9-17(18)23-19(26)11-12-22-21(27)20-15-7-3-2-4-8-16(15)24-25-20/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H,22,27)(H,24,25)InChIKey
PYTZCPSSODRTHS-UHFFFAOYSA-NSynonyms
1676087-18-51676087185
COCCn1c(CCNC(=O)c2(nH)nc3c2CCCCC3)nc2c1cccc2
COCCn1c(CCNC(=O)c2n(nH)c3c2CCCCC3)nc2c1cccc2
COCCN1C2=CC=CC=C2N=C1CCNC(=O)C3=NNC4=C3CCCCC4
InChI=1SC21H27N5O2c128141326181065917(18)2319(26)11122221(27)20157324816(15)242520h56910H24781114H21H3(H2227)(H2425)
MFCD30708309
N(2(1(2methoxyethyl)1Hbenzimidazol2yl)ethyl)245678hexahydrocyclohepta(c)pyrazole3carboxamide
N(2(1(2methoxyethyl)1Hbenzo(d)imidazol2yl)ethyl)145678hexahydrocyclohepta(c)pyrazole3carboxamide
N(2(1(2methoxyethyl)benzimidazol2yl)ethyl)145678hexahydrocyclohepta(c)pyrazole3carboxamide
ZINC000218546861
ZINC218546861
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