Vitas-M small molecule compound
1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK783837
SMILES COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccccc1C)cc3c1ccc(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 C32H31N3OS MW 505.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3OS/c1-21-11-13-23(14-12-21)28-20-35-30(31(37)33-27-10-5-4-8-22(27)2)29(24-15-17-25(36-3)18-16-24)26-9-6-7-19-34(28)32(26)35/h4-5,8,10-18,20H,6-7,9,19H2,1-3H3,(H,33,37)InChIKey
UCZALCDIGQTNCH-UHFFFAOYSA-NSynonyms
497245-53-11(4methoxyphenyl)N(2methylphenyl)4(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
1(4methoxyphenyl)N(otolyl)4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
497245531
CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NC6=CC=CC=C6C
InChI=1SC32H31N3OSc121111323(141221)28203530(31(37)33271054822(27)2)29(24151725(363)181624)269671934(28)32(26)35h458101820H67919H213H3(H3337)
MFCD03297985
ZINC000009380727
ZINC09380727
ZINC9380727
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