Vitas-M small molecule compound
1,4-bis(4-chlorophenyl)-N-(4-ethylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK783824
SMILES CCc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)Cl)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 C31H27Cl2N3S MW 544.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27Cl2N3S/c1-2-20-6-16-25(17-7-20)34-30(37)29-28(22-10-14-24(33)15-11-22)26-5-3-4-18-35-27(19-36(29)31(26)35)21-8-12-23(32)13-9-21/h6-17,19H,2-5,18H2,1H3,(H,34,37)InChIKey
OCJYVEPPPGKFKD-UHFFFAOYSA-NSynonyms
497866-60-114bis(4chlorophenyl)N(4ethylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
497866601
CCC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl
InChI=1SC31H27Cl2N3Sc122061625(17720)3430(37)2928(22101424(33)151122)26534183527(1936(29)31(26)35)2181223(32)13921h61719H2518H21H3(H3437)
MFCD03301014
ZINC000002346087
ZINC2346087
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