Vitas-M small molecule compound

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

Catalog ID
STK543172
SMILES C=CCNC(=S)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)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 C27H27N3S MW 425.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3S/c1-3-16-28-26(31)25-24(21-14-12-19(2)13-15-21)22-11-7-8-17-29-23(18-30(25)27(22)29)20-9-5-4-6-10-20/h3-6,9-10,12-15,18H,1,7-8,11,16-17H2,2H3,(H,28,31)
InChIKey
RPVAOZZIWBGLPM-UHFFFAOYSA-N
Synonyms
488851-49-6
1(4methylphenyl)4phenylN(prop2en1yl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
488851496
CC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=CC=C5)C(=S)NCC=C
InChI=1SC27H27N3Sc13162826(31)2524(21141219(2)131521)221178172923(1830(25)27(22)29)2095461020h36910121518H178111617H22H3(H2831)
MFCD03294629
Nallyl4phenyl1(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002206170
ZINC02206170
ZINC2206170

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Available files

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