Vitas-M small molecule compound
N-(4-ethylphenyl)-1-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STL005904
SMILES CCc1ccc(cc1)NC(=S)c1n2cc(n3c2c(c1c1ccc(cc1)C)CCCC3)c1ccccc1
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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 C32H31N3S MW 489.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3S/c1-3-23-14-18-26(19-15-23)33-31(36)30-29(25-16-12-22(2)13-17-25)27-11-7-8-20-34-28(21-35(30)32(27)34)24-9-5-4-6-10-24/h4-6,9-10,12-19,21H,3,7-8,11,20H2,1-2H3,(H,33,36)InChIKey
CJIVTIPKNPLYTR-UHFFFAOYSA-NSynonyms
497941-31-8497941318
CCC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)C
InChI=1SC32H31N3Sc1323141826(191523)3331(36)3029(25161222(2)131725)271178203428(2135(30)32(27)34)2495461024h46910121921H3781120H212H3(H3336)
MFCD03301282
N(4ethylphenyl)1(4methylphenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
N(4ethylphenyl)4phenyl1(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000009307097
ZINC09307097
ZINC9307097
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