Vitas-M small molecule compound
N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STL006307
SMILES CCOc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)C)c2c3n1cc(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 C33H33N3O2S MW 535.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O2S/c1-4-38-27-18-14-25(15-19-27)34-32(39)31-30(24-10-8-22(2)9-11-24)28-7-5-6-20-35-29(21-36(31)33(28)35)23-12-16-26(37-3)17-13-23/h8-19,21H,4-7,20H2,1-3H3,(H,34,39)InChIKey
KBLSXYIJDBVHPH-UHFFFAOYSA-NSynonyms
489405-36-9489405369
CCOC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)C
InChI=1SC33H33N3O2Sc143827181425(151927)3432(39)3130(2410822(2)91124)28756203529(2136(31)33(28)35)23121626(373)171323h81921H4720H213H3(H3439)
MFCD03296196
N(4ethoxyphenyl)4(4methoxyphenyl)1(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
N(4ethoxyphenyl)4(4methoxyphenyl)1(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002442744
ZINC2442744
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