Vitas-M small molecule compound
N-(1,3-dihydro-2H-benzimidazol-2-ylidene)-1'-oxo-2'-(tetrahydrofuran-2-ylmethyl)-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Catalog ID
STL249304
SMILES O=C(C1c2ccccc2C(=O)N(C21CCCC2)CC1CCCO1)/N=c/1\[nH]c2c([nH]1)cccc2
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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 C26H28N4O3 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O3/c31-23(29-25-27-20-11-3-4-12-21(20)28-25)22-18-9-1-2-10-19(18)24(32)30(16-17-8-7-15-33-17)26(22)13-5-6-14-26/h1-4,9-12,17,22H,5-8,13-16H2,(H2,27,28,29,31)InChIKey
XZEKDILIYOACTD-UHFFFAOYSA-NSynonyms
1351671-34-51351671345
C1CCC2(C1)C(C3=CC=CC=C3C(=O)N2CC4CCCO4)C(=O)NC5=NC6=CC=CC=C6N5
InChI=1SC26H28N4O3c3123(2925272011341221(20)2825)22189121019(18)24(32)30(161787153317)26(22)13561426h149121722H581316H2(H227282931)
MFCD24861485
N(13dihydro2Hbenzimidazol2ylidene)1oxo2(tetrahydrofuran2ylmethyl)14dihydro2Hspiro(cyclopentane13isoquinoline)4carboxamide
N(1Hbenzimidazol2yl)1oxo2(oxolan2ylmethyl)spiro(4Hisoquinoline31cyclopentane)4carboxamide
O=C(C1c2ccccc2C(=O)N(C21CCCC2)CC1CCCO1)N=c1(nH)c2c((nH)1)cccc2
ZINC000072401973
ZINC000072401976
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