Vitas-M small molecule compound
4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STL003427
SMILES CCOc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccccc1)nc3c1ccc(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 C31H30N4O2S MW 522.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O2S/c1-3-37-25-18-12-21(13-19-25)27-26-11-7-8-20-34-29(22-14-16-24(36-2)17-15-22)33-35(31(26)34)28(27)30(38)32-23-9-5-4-6-10-23/h4-6,9-10,12-19H,3,7-8,11,20H2,1-2H3,(H,32,38)InChIKey
TZCDAEODOLXJGT-UHFFFAOYSA-NSynonyms
540500-11-61(4ethoxyphenyl)4(4methoxyphenyl)Nphenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4ethoxyphenyl)1(4methoxyphenyl)Nphenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
540500116
CCOC1=CC=C(C=C1)C2=C(N3C4=C2CCCCN4C(=N3)C5=CC=C(C=C5)OC)C(=S)NC6=CC=CC=C6
InChI=1SC31H30N4O2Sc133725181221(131925)27261178203429(22141624(362)171522)3335(31(26)34)28(27)30(38)322395461023h469101219H3781120H212H3(H3238)
MFCD03460926
ZINC000002253962
ZINC02253962
ZINC2253962
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