Vitas-M small molecule compound
1-(4-methoxyphenyl)-4-(4-methylphenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK997771
SMILES C=CCNC(=S)c1c(c2ccc(cc2)OC)c2c3n1cc(n3CCCC2)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 C28H29N3OS MW 455.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3OS/c1-4-16-29-27(33)26-25(21-12-14-22(32-3)15-13-21)23-7-5-6-17-30-24(18-31(26)28(23)30)20-10-8-19(2)9-11-20/h4,8-15,18H,1,5-7,16-17H2,2-3H3,(H,29,33)InChIKey
AWMPIMYJJISPBV-UHFFFAOYSA-NSynonyms
488858-06-61(4methoxyphenyl)4(4methylphenyl)N(prop2en1yl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
488858066
CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NCC=C
InChI=1SC28H29N3OSc14162927(33)2625(21121422(323)151321)23756173024(1831(26)28(23)30)2010819(2)91120h481518H1571617H223H3(H2933)
MFCD03295049
Nallyl1(4methoxyphenyl)4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002218982
ZINC02218982
ZINC2218982
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