Vitas-M small molecule compound
4-(4-methylphenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK605372
SMILES C=CCNC(=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 C27H27N3S MW 425.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3S/c1-3-16-28-26(31)25-24(21-9-5-4-6-10-21)22-11-7-8-17-29-23(18-30(25)27(22)29)20-14-12-19(2)13-15-20/h3-6,9-10,12-15,18H,1,7-8,11,16-17H2,2H3,(H,28,31)InChIKey
ROVPCCYRHBNWDM-UHFFFAOYSA-NSynonyms
487033-72-74(4methylphenyl)1phenylN(prop2en1yl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
487033727
CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=CC=C5)C(=S)NCC=C
InChI=1SC27H27N3Sc13162826(31)2524(2195461021)221178172923(1830(25)27(22)29)20141219(2)131520h36910121518H178111617H22H3(H2831)
MFCD03287139
Nallyl1phenyl4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002322260
ZINC02322260
ZINC2322260
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