Vitas-M small molecule compound
2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl[2-(1-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
Catalog ID
STL410629
SMILES O=C(N1CCCC1c1nc2c(n1C)cccc2)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 C21H25N5O MW 363.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O/c1-25-17-11-6-5-10-16(17)22-20(25)18-12-7-13-26(18)21(27)19-14-8-3-2-4-9-15(14)23-24-19/h5-6,10-11,18H,2-4,7-9,12-13H2,1H3,(H,23,24)InChIKey
SPIRRYAQAWMWEE-UHFFFAOYSA-NSynonyms
(S)(145678hexahydrocyclohepta(c)pyrazol3yl)(2(1methyl1Hbenzo(d)imidazol2yl)pyrrolidin1yl)methanone
145678hexahydrocyclohepta(c)pyrazol3yl(2(1methylbenzimidazol2yl)pyrrolidin1yl)methanone
245678hexahydrocyclohepta(c)pyrazol3yl(2(1methyl1Hbenzimidazol2yl)pyrrolidin1yl)methanone
CN1C2=CC=CC=C2N=C1C3CCCN3C(=O)C4=NNC5=C4CCCCC5
InChI=1SC21H25N5Oc1251711651016(17)2220(25)181271326(18)21(27)19148324915(14)232419h56101118H24791213H21H3(H2324)
MFCD30706303
O=C(N1CCC(C@H)1c1nc2c(n1C)cccc2)c1n(nH)c2c1CCCCC2
O=C(N1CCCC1c1nc2c(n1C)cccc2)c1(nH)nc2c1CCCCC2
ZINC000096230719
ZINC000206233100
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