Vitas-M small molecule compound
N-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK650286
SMILES COc1ccc(cc1)c1c(C(=S)Nc2ccc(cc2)CC)n2c3c1CCCCn3c(c2)c1ccc(cc1)C
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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(25-14-18-27(37-3)19-15-25)28-7-5-6-20-35-29(21-36(31)33(28)35)24-12-8-22(2)9-13-24/h8-19,21H,4-7,20H2,1-3H3,(H,34,38)InChIKey
JNCQKRPSPSHCBO-UHFFFAOYSA-NSynonyms
497248-00-7497248007
CCC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)C)C6=CC=C(C=C6)OC
InChI=1SC33H33N3OSc1423101626(171123)3432(38)3130(25141827(373)191525)28756203529(2136(31)33(28)35)2412822(2)91324h81921H4720H213H3(H3438)
MFCD03298225
N(4ethylphenyl)1(4methoxyphenyl)4(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
N(4ethylphenyl)1(4methoxyphenyl)4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002289690
ZINC02289690
ZINC2289690
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