Vitas-M small molecule compound
4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Catalog ID
STK589915
SMILES COc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)OC)n2c3c1CCCCn3c(c2)c1ccc(cc1)F
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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 C31H28FN3O3 MW 509.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28FN3O3/c1-37-24-15-11-21(12-16-24)28-26-8-3-4-17-34-27(20-9-13-22(32)14-10-20)19-35(31(26)34)29(28)30(36)33-23-6-5-7-25(18-23)38-2/h5-7,9-16,18-19H,3-4,8,17H2,1-2H3,(H,33,36)InChIKey
NJSUHWVETVYSMG-UHFFFAOYSA-NSynonyms
896169-54-34(4fluorophenyl)N(3methoxyphenyl)1(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
896169543
COC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)F)C(=O)NC6=CC(=CC=C6)OC
InChI=1SC31H28FN3O3c13724151121(121624)2826834173427(2091322(32)141020)1935(31(26)34)29(28)30(36)332365725(1823)382h579161819H34817H212H3(H3336)
MFCD06597801
ZINC000002211941
ZINC02211941
ZINC2211941
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