Vitas-M small molecule compound
4-(4-ethylphenyl)-1-(4-methylphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK771593
SMILES CCc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccccc1)nc3c1ccc(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 C31H30N4S MW 490.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4S/c1-3-22-14-18-23(19-15-22)27-26-11-7-8-20-34-29(24-16-12-21(2)13-17-24)33-35(31(26)34)28(27)30(36)32-25-9-5-4-6-10-25/h4-6,9-10,12-19H,3,7-8,11,20H2,1-2H3,(H,32,36)InChIKey
VQRCXNYZVNRHQV-UHFFFAOYSA-NSynonyms
540774-46-71(4ethylphenyl)Nphenyl4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4ethylphenyl)1(4methylphenyl)Nphenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
540774467
CCC1=CC=C(C=C1)C2=C(N3C4=C2CCCCN4C(=N3)C5=CC=C(C=C5)C)C(=S)NC6=CC=CC=C6
InChI=1SC31H30N4Sc1322141823(191522)27261178203429(24161221(2)131724)3335(31(26)34)28(27)30(36)322595461025h469101219H3781120H212H3(H3236)
MFCD03460740
ZINC000002251118
ZINC02251118
ZINC2251118
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