Vitas-M small molecule compound
4-(4-methylphenyl)-N,1-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK783828
SMILES Cc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=S)Nc1ccccc1)c1ccccc1
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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 C30H27N3S MW 461.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3S/c1-21-15-17-22(18-16-21)26-20-33-28(29(34)31-24-12-6-3-7-13-24)27(23-10-4-2-5-11-23)25-14-8-9-19-32(26)30(25)33/h2-7,10-13,15-18,20H,8-9,14,19H2,1H3,(H,31,34)InChIKey
IVAFMWBAFJOQNP-UHFFFAOYSA-NSynonyms
500268-39-34(4methylphenyl)N1diphenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
500268393
CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=CC=C5)C(=S)NC6=CC=CC=C6
InChI=1SC30H27N3Sc121151722(181621)26203328(29(34)3124126371324)27(23104251123)2514891932(26)30(25)33h271013151820H891419H21H3(H3134)
MFCD03299646
N1diphenyl4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002321914
ZINC02321914
ZINC2321914
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