Vitas-M small molecule compound
4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK679998
SMILES CCOc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)Cl)c2c3n1nc(n3CCCC2)c1ccc(cc1)OC
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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 C31H29ClN4O2S MW 557.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN4O2S/c1-3-38-25-17-13-23(14-18-25)33-30(39)28-27(20-7-11-22(32)12-8-20)26-6-4-5-19-35-29(34-36(28)31(26)35)21-9-15-24(37-2)16-10-21/h7-18H,3-6,19H2,1-2H3,(H,33,39)InChIKey
UOWCOWFVWSFHOC-UHFFFAOYSA-NSynonyms
4(4chlorophenyl)N(4ethoxyphenyl)1(4methoxyphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
CCOC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2N=C(N4CCCC3)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)Cl
InChI=1SC31H29ClN4O2Sc133825171323(141825)3330(39)2827(2071122(32)12820)26645193529(3436(28)31(26)35)2191524(372)161021h718H3619H212H3(H3339)
MFCD03459541
ZINC000098005129
ZINC98005129
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