Vitas-M small molecule compound
4-(4-methoxyphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STL006608
SMILES COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1cccc(c1)C)nc3c1ccc(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 C31H30N4OS MW 506.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4OS/c1-20-10-12-23(13-11-20)29-33-35-28(30(37)32-24-8-6-7-21(2)19-24)27(22-14-16-25(36-3)17-15-22)26-9-4-5-18-34(29)31(26)35/h6-8,10-17,19H,4-5,9,18H2,1-3H3,(H,32,37)InChIKey
XEGZMSHPTOIKQP-UHFFFAOYSA-NSynonyms
540774-22-91(4methoxyphenyl)N(mtolyl)4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4methoxyphenyl)N(3methylphenyl)1(4methylphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
540774229
CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NC6=CC=CC(=C6)C
InChI=1SC31H30N4OSc120101223(131120)29333528(30(37)322486721(2)1924)27(22141625(363)171522)269451834(29)31(26)35h68101719H45918H213H3(H3237)
MFCD03460683
ZINC000002247125
ZINC02247125
ZINC2247125
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