Vitas-M small molecule compound

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

Catalog ID
STK783814
SMILES Clc1ccc(cc1)c1c(C(=S)Nc2ccc(cc2)C)n2c3c1CCCCn3c(c2)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 C31H28ClN3S MW 510.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3S/c1-20-6-10-22(11-7-20)27-19-35-29(30(36)33-25-16-8-21(2)9-17-25)28(23-12-14-24(32)15-13-23)26-5-3-4-18-34(27)31(26)35/h6-17,19H,3-5,18H2,1-2H3,(H,33,36)
InChIKey
BXXPAPJDYJQMGQ-UHFFFAOYSA-N
Synonyms
497864-84-3
1(4chlorophenyl)N4bis(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
1(4chlorophenyl)N4diptolyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
497864843
CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=C(C=C6)C
InChI=1SC31H28ClN3Sc12061022(11720)27193529(30(36)332516821(2)91725)28(23121424(32)151323)265341834(27)31(26)35h61719H3518H212H3(H3336)
MFCD03300868
ZINC000002345688
ZINC02345688
ZINC2345688

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Available files

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