Vitas-M small molecule compound
N-(4-ethylphenyl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK783836
SMILES CCc1ccc(cc1)NC(=S)c1n2cc(n3c2c(c1c1ccc(cc1)C)CCCC3)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 C33H33N3OS MW 519.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3OS/c1-4-23-10-16-26(17-11-23)34-32(38)31-30(25-12-8-22(2)9-13-25)28-7-5-6-20-35-29(21-36(31)33(28)35)24-14-18-27(37-3)19-15-24/h8-19,21H,4-7,20H2,1-3H3,(H,34,38)InChIKey
JPGYVUSHIFCIIN-UHFFFAOYSA-NSynonyms
488732-35-0488732350
CCC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)C
InChI=1SC33H33N3OSc1423101626(171123)3432(38)3130(2512822(2)91325)28756203529(2136(31)33(28)35)24141827(373)191524h81921H4720H213H3(H3438)
MFCD03291859
N(4ethylphenyl)4(4methoxyphenyl)1(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
N(4ethylphenyl)4(4methoxyphenyl)1(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002339077
ZINC02339077
ZINC2339077
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