Vitas-M small molecule compound
4-(4-methoxyphenyl)-1-phenyl-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Catalog ID
STL006631
SMILES CCCNC(=O)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)c1ccc(cc1)OC
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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 C27H29N3O2 MW 427.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2/c1-3-16-28-26(31)25-24(20-9-5-4-6-10-20)22-11-7-8-17-29-23(18-30(25)27(22)29)19-12-14-21(32-2)15-13-19/h4-6,9-10,12-15,18H,3,7-8,11,16-17H2,1-2H3,(H,28,31)InChIKey
OCBZGBJFOIAETG-UHFFFAOYSA-NSynonyms
846585-00-04(4methoxyphenyl)1phenylNpropyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
846585000
CCCNC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)OC)C5=CC=CC=C5
InChI=1SC27H29N3O2c13162826(31)2524(2095461020)221178172923(1830(25)27(22)29)19121421(322)151319h46910121518H378111617H212H3(H2831)
MFCD04175556
ZINC000005215538
ZINC05215538
ZINC5215538
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