Vitas-M small molecule compound
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK783839
SMILES COc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)F)c2c3n1cc(n3CCCC2)c1ccc(cc1)C
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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 C31H28FN3OS MW 509.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28FN3OS/c1-20-6-8-21(9-7-20)27-19-35-29(30(37)33-24-14-16-25(36-2)17-15-24)28(22-10-12-23(32)13-11-22)26-5-3-4-18-34(27)31(26)35/h6-17,19H,3-5,18H2,1-2H3,(H,33,37)InChIKey
SNQGYXQRUYBPSD-UHFFFAOYSA-NSynonyms
496775-10-11(4fluorophenyl)N(4methoxyphenyl)4(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
1(4fluorophenyl)N(4methoxyphenyl)4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
496775101
CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)F)C(=S)NC6=CC=C(C=C6)OC
InChI=1SC31H28FN3OSc1206821(9720)27193529(30(37)3324141625(362)171524)28(22101223(32)131122)265341834(27)31(26)35h61719H3518H212H3(H3337)
MFCD03298736
ZINC000002300918
ZINC02300918
ZINC2300918
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