Vitas-M small molecule compound
4-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK997928
SMILES COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1cccc(c1C)C)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 C32H30ClN3OS MW 540.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClN3OS/c1-20-7-6-9-27(21(20)2)34-31(38)30-29(23-12-16-25(37-3)17-13-23)26-8-4-5-18-35-28(19-36(30)32(26)35)22-10-14-24(33)15-11-22/h6-7,9-17,19H,4-5,8,18H2,1-3H3,(H,34,38)InChIKey
GIVWXUTVCNPYAY-UHFFFAOYSA-NSynonyms
500275-03-64(4chlorophenyl)N(23dimethylphenyl)1(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
500275036
CC1=C(C(=CC=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC)C
InChI=1SC32H30ClN3OSc12076927(21(20)2)3431(38)3029(23121625(373)171323)26845183528(1936(30)32(26)35)22101424(33)151122h6791719H45818H213H3(H3438)
MFCD03303127
ZINC000002354177
ZINC2354177
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