Vitas-M small molecule compound
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK783817
SMILES COc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)c1ccc(cc1)Cl
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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 C31H28ClN3OS MW 526.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3OS/c1-20-6-8-22(9-7-20)28-26-5-3-4-18-34-27(21-10-12-23(32)13-11-21)19-35(31(26)34)29(28)30(37)33-24-14-16-25(36-2)17-15-24/h6-17,19H,3-5,18H2,1-2H3,(H,33,37)InChIKey
DBDANGBZNTZCQA-UHFFFAOYSA-NSynonyms
497243-32-04(4chlorophenyl)N(4methoxyphenyl)1(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
4(4chlorophenyl)N(4methoxyphenyl)1(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
497243320
CC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=C(C=C6)OC
InChI=1SC31H28ClN3OSc1206822(9720)2826534183427(21101223(32)131121)1935(31(26)34)29(28)30(37)3324141625(362)171524h61719H3518H212H3(H3337)
MFCD03300238
ZINC000002341139
ZINC02341139
ZINC2341139
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