Vitas-M small molecule compound

N-(4-ethylphenyl)-4-(4-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide

Catalog ID
STK647870
SMILES CCc1ccc(cc1)NC(=S)c1c(c2ccccc2)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 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(25-9-5-4-6-10-25)27-11-7-8-20-34-28(21-35(30)32(27)34)24-16-12-22(2)13-17-24/h4-6,9-10,12-19,21H,3,7-8,11,20H2,1-2H3,(H,33,36)
InChIKey
ILAAOUJQJCQXCM-UHFFFAOYSA-N
Synonyms
488109-94-0
488109940
CCC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)C)C6=CC=CC=C6
InChI=1SC32H31N3Sc1323141826(191523)3331(36)3029(2595461025)271178203428(2135(30)32(27)34)24161222(2)131724h46910121921H3781120H212H3(H3336)
MFCD03289070
N(4ethylphenyl)1phenyl4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
N(4ethylphenyl)4(4methylphenyl)1phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002329350
ZINC02329350
ZINC2329350

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Available files

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