Vitas-M small molecule compound
4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK783825
SMILES COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccccc1C)cc3c1ccc(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/c1-20-7-3-4-9-26(20)33-30(37)29-28(22-12-16-24(36-2)17-13-22)25-8-5-6-18-34-27(19-35(29)31(25)34)21-10-14-23(32)15-11-21/h3-4,7,9-17,19H,5-6,8,18H2,1-2H3,(H,33,37)InChIKey
MYGDFZYYHFVUJX-UHFFFAOYSA-NSynonyms
488121-22-84(4chlorophenyl)1(4methoxyphenyl)N(2methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
4(4chlorophenyl)1(4methoxyphenyl)N(otolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
488121228
CC1=CC=CC=C1NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC
InChI=1SC31H28ClN3OSc120734926(20)3330(37)2928(22121624(362)171322)25856183427(1935(29)31(25)34)21101423(32)151121h34791719H56818H212H3(H3337)
MFCD03289408
ZINC000002330360
ZINC02330360
ZINC2330360
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