Vitas-M small molecule compound

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

Catalog ID
STK534408
SMILES Clc1ccc(cc1)c1c(C(=S)Nc2cc(C)ccc2C)n2c3c1CCCCn3c(c2)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 C31H28ClN3S MW 510.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3S/c1-20-11-12-21(2)26(18-20)33-30(36)29-28(23-13-15-24(32)16-14-23)25-10-6-7-17-34-27(19-35(29)31(25)34)22-8-4-3-5-9-22/h3-5,8-9,11-16,18-19H,6-7,10,17H2,1-2H3,(H,33,36)
InChIKey
KVUINZSBCLYOGZ-UHFFFAOYSA-N
Synonyms

1(4chlorophenyl)N(25dimethylphenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
CC1=CC(=C(C=C1)C)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)Cl
InChI=1SC31H28ClN3Sc120111221(2)26(1820)3330(36)2928(23131524(32)161423)251067173427(1935(29)31(25)34)228435922h358911161819H671017H212H3(H3336)
MFCD02252880
ZINC000002083247
ZINC02083247
ZINC2083247

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Available files

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