Vitas-M small molecule compound
N-(3-chlorophenyl)-1-(4-ethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Catalog ID
STK577115
SMILES CCc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)Cl)n2c3c1CCCCn3c(c2)c1ccccc1
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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 C31H28ClN3O MW 494.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O/c1-2-21-14-16-23(17-15-21)28-26-13-6-7-18-34-27(22-9-4-3-5-10-22)20-35(31(26)34)29(28)30(36)33-25-12-8-11-24(32)19-25/h3-5,8-12,14-17,19-20H,2,6-7,13,18H2,1H3,(H,33,36)InChIKey
IOSJPMMPRHCOCJ-UHFFFAOYSA-NSynonyms
896168-28-8896168288
CCC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=CC=C5)C(=O)NC6=CC(=CC=C6)Cl
InChI=1SC31H28ClN3Oc1221141623(171521)28261367183427(2294351022)2035(31(26)34)29(28)30(36)33251281124(32)1925h3581214171920H2671318H21H3(H3336)
MFCD06593574
N(3chlorophenyl)1(4ethylphenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
ZINC000009242750
ZINC09242750
ZINC9242750
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