Vitas-M small molecule compound

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

Catalog ID
STK603278
SMILES COc1ccc(cc1)c1c(C(=S)Nc2ccc(cc2)CC)n2c3c1CCCCn3c(c2)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 C32H30ClN3OS MW 540.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClN3OS/c1-3-21-7-15-25(16-8-21)34-31(38)30-29(23-11-17-26(37-2)18-12-23)27-6-4-5-19-35-28(20-36(30)32(27)35)22-9-13-24(33)14-10-22/h7-18,20H,3-6,19H2,1-2H3,(H,34,38)
InChIKey
VVUOAPVPTKAAPY-UHFFFAOYSA-N
Synonyms
488100-54-5
4(4chlorophenyl)N(4ethylphenyl)1(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
488100545
CCC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC
InChI=1SC32H30ClN3OSc132171525(16821)3431(38)3029(23111726(372)181223)27645193528(2036(30)32(27)35)2291324(33)141022h71820H3619H212H3(H3438)
MFCD03288490
ZINC000002327063
ZINC2327063

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Available files

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