Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
Catalog ID
STL407577
SMILES O=C(c1[nH]nc2c1CCCCC2)Nc1ccc2c(c1)OCO2
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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 C16H17N3O3 MW 299.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O3/c20-16(15-11-4-2-1-3-5-12(11)18-19-15)17-10-6-7-13-14(8-10)22-9-21-13/h6-8H,1-5,9H2,(H,17,20)(H,18,19)InChIKey
JZLBODAEDVMINH-UHFFFAOYSA-NSynonyms
1574302-40-11574302401
C1CCC2=C(CC1)NN=C2C(=O)NC3=CC4=C(C=C3)OCO4
InChI=1SC16H17N3O3c2016(15114213512(11)181915)1710671314(810)2292113h68H159H2(H1720)(H1819)
MFCD30704810
N(13benzodioxol5yl)145678hexahydrocyclohepta(c)pyrazole3carboxamide
N(13benzodioxol5yl)245678hexahydrocyclohepta(c)pyrazole3carboxamide
N(benzo(d)(13)dioxol5yl)145678hexahydrocyclohepta(c)pyrazole3carboxamide
O=C(c1(nH)nc2c1CCCCC2)Nc1ccc2c(c1)OCO2
O=C(c1n(nH)c2c1CCCCC2)Nc1ccc2c(c1)OCO2
ZINC000096232308
ZINC96232308
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