Vitas-M small molecule compound
N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STL004054
SMILES CCOc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)OC)c2c3n1nc(n3CCCC2)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 C31H30N4O2S MW 522.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O2S/c1-3-37-25-18-14-23(15-19-25)32-30(38)28-27(21-12-16-24(36-2)17-13-21)26-11-7-8-20-34-29(33-35(28)31(26)34)22-9-5-4-6-10-22/h4-6,9-10,12-19H,3,7-8,11,20H2,1-2H3,(H,32,38)InChIKey
FEMLSUDXJZEJEF-UHFFFAOYSA-NSynonyms
540773-39-5540773395
CCOC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2N=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)OC
InChI=1SC31H30N4O2Sc133725181423(151925)3230(38)2827(21121624(362)171321)261178203429(3335(28)31(26)34)2295461022h469101219H3781120H212H3(H3238)
MFCD03460413
N(4ethoxyphenyl)1(4methoxyphenyl)4phenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
N(4ethoxyphenyl)4(4methoxyphenyl)1phenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
ZINC000009462567
ZINC09462567
ZINC9462567
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