Vitas-M small molecule compound
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
Catalog ID
STL408752
SMILES O=C(c1[nH]nc2c1CCCCC2)Nc1ccc2c(c1)OCCCO2
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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 C18H21N3O3 MW 327.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3/c22-18(17-13-5-2-1-3-6-14(13)20-21-17)19-12-7-8-15-16(11-12)24-10-4-9-23-15/h7-8,11H,1-6,9-10H2,(H,19,22)(H,20,21)InChIKey
QSCUJOUHFKUKAN-UHFFFAOYSA-NSynonyms
1574528-41-81574528418
C1CCC2=C(CC1)NN=C2C(=O)NC3=CC4=C(C=C3)OCCCO4
InChI=1SC18H21N3O3c2218(17135213614(13)202117)1912781516(1112)2410492315h7811H16910H2(H1922)(H2021)
MFCD30705366
N(34dihydro2H15benzodioxepin7yl)145678hexahydrocyclohepta(c)pyrazole3carboxamide
N(34dihydro2H15benzodioxepin7yl)245678hexahydrocyclohepta(c)pyrazole3carboxamide
N(34dihydro2Hbenzo(b)(14)dioxepin7yl)145678hexahydrocyclohepta(c)pyrazole3carboxamide
O=C(c1(nH)nc2c1CCCCC2)Nc1ccc2c(c1)OCCCO2
O=C(c1n(nH)c2c1CCCCC2)Nc1ccc2c(c1)OCCCO2
ZINC000096223945
ZINC96223945
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