Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,1-diphenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK649784
SMILES S=C(c1c(c2ccc3c(c2)OCCO3)c2c3n1nc(n3CCCC2)c1ccccc1)Nc1ccccc1
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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 C30H26N4O2S MW 506.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N4O2S/c37-29(31-22-11-5-2-6-12-22)27-26(21-14-15-24-25(19-21)36-18-17-35-24)23-13-7-8-16-33-28(32-34(27)30(23)33)20-9-3-1-4-10-20/h1-6,9-12,14-15,19H,7-8,13,16-18H2,(H,31,37)InChIKey
LWCLTAQXPMHFAW-UHFFFAOYSA-NSynonyms
540773-67-91(23dihydrobenzo(b)(14)dioxin6yl)N4diphenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(23dihydro14benzodioxin6yl)N1diphenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
540773679
C1CCN2C3=C(C1)C(=C(N3N=C2C4=CC=CC=C4)C(=S)NC5=CC=CC=C5)C6=CC7=C(C=C6)OCCO7
InChI=1SC30H26N4O2Sc3729(3122115261222)2726(2114152425(1921)3618173524)231378163328(3234(27)30(23)33)2093141020h16912141519H78131618H2(H3137)
MFCD03460465
ZINC000009461752
ZINC09461752
ZINC9461752
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