Vitas-M small molecule compound
5-(furan-2-yl)-2,2-dimethyl-8-(prop-2-en-1-ylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Catalog ID
STK830284
SMILES C=CCSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1
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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 C21H19N3O2S2 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O2S2/c1-4-8-27-20-18-17(22-11-23-20)15-12-9-21(2,3)26-10-13(12)16(24-19(15)28-18)14-6-5-7-25-14/h4-7,11H,1,8-10H2,2-3H3InChIKey
KJGUKDTWCKMISE-UHFFFAOYSA-NSynonyms
5(furan2yl)22dimethyl8(prop2en1ylsulfanyl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidine
8(allylthio)5(furan2yl)22dimethyl24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidine
CC1(CC2=C3C4=C(C(=NC=N4)SCC=C)SC3=NC(=C2CO1)C5=CC=CO5)C
InChI=1SC21H19N3O2S2c14827201817(22112320)1512921(23)261013(12)16(2419(15)2818)146572514h4711H1810H223H3
MFCD02237734
ZINC000001832626
ZINC01832626
ZINC1832626
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