Vitas-M small molecule compound

4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide

Catalog ID
STK783816
SMILES COc1ccc(cc1)NC(=S)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)c1ccc(cc1)Cl

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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 C30H26ClN3OS MW 512.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3OS/c1-35-24-16-14-23(15-17-24)32-29(36)28-27(21-7-3-2-4-8-21)25-9-5-6-18-33-26(19-34(28)30(25)33)20-10-12-22(31)13-11-20/h2-4,7-8,10-17,19H,5-6,9,18H2,1H3,(H,32,36)
InChIKey
KRPPVABRSOJNRP-UHFFFAOYSA-N
Synonyms
488727-28-2
4(4chlorophenyl)N(4methoxyphenyl)1phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
488727282
COC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)Cl)C6=CC=CC=C6
InChI=1SC30H26ClN3OSc13524161423(151724)3229(36)2827(217324821)25956183326(1934(28)30(25)33)20101222(31)131120h2478101719H56918H21H3(H3236)
MFCD03291684
ZINC000002338522
ZINC02338522
ZINC2338522

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Available files

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