Vitas-M small molecule compound

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

Catalog ID
STK999161
SMILES C=CCNC(=S)c1c(c2ccc(cc2)OC)c2c3n1cc(n3CCCC2)c1ccc(cc1)OC

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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 C28H29N3O2S MW 471.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O2S/c1-4-16-29-27(34)26-25(20-10-14-22(33-3)15-11-20)23-7-5-6-17-30-24(18-31(26)28(23)30)19-8-12-21(32-2)13-9-19/h4,8-15,18H,1,5-7,16-17H2,2-3H3,(H,29,34)
InChIKey
AFDAYMNVQITBAF-UHFFFAOYSA-N
Synonyms
326015-07-0
14bis(4methoxyphenyl)N(prop2en1yl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
326015070
COC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NCC=C
InChI=1SC28H29N3O2Sc14162927(34)2625(20101422(333)151120)23756173024(1831(26)28(23)30)1981221(322)13919h481518H1571617H223H3(H2934)
MFCD02073869
Nallyl14bis(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002324694
ZINC02324694
ZINC2324694

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Available files

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