Vitas-M small molecule compound
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STL007019
SMILES COc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)Cl)c2c3n1nc(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 C30H27ClN4OS MW 527.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN4OS/c1-19-6-8-21(9-7-19)28-33-35-27(29(37)32-23-14-16-24(36-2)17-15-23)26(20-10-12-22(31)13-11-20)25-5-3-4-18-34(28)30(25)35/h6-17H,3-5,18H2,1-2H3,(H,32,37)InChIKey
PAHHROSJKQKCGA-UHFFFAOYSA-NSynonyms
540774-26-31(4chlorophenyl)N(4methoxyphenyl)4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4chlorophenyl)N(4methoxyphenyl)1(4methylphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
540774263
CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=C(C=C6)OC
InChI=1SC30H27ClN4OSc1196821(9719)28333527(29(37)3223141624(362)171523)26(20101222(31)131120)255341834(28)30(25)35h617H3518H212H3(H3237)
MFCD03460689
ZINC000002247102
ZINC02247102
ZINC2247102
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