Vitas-M small molecule compound
7-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Catalog ID
STK544259
SMILES C/C(=C/CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1)/Cl
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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 C22H18ClN3S2 MW 423.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3S2/c1-13(23)10-11-27-22-20-19(24-12-25-22)17-15-8-5-9-16(15)18(26-21(17)28-20)14-6-3-2-4-7-14/h2-4,6-7,10,12H,5,8-9,11H2,1H3/b13-10-InChIKey
RBKJVQFTGKUMAN-RAXLEYEMSA-NSynonyms
497942-89-9(Z)7((3chlorobut2en1yl)thio)4phenyl23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidine
497942899
7(((2Z)3chlorobut2en1yl)sulfanyl)4phenyl23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidine
CC(=CCSC1=NC=NC2=C1SC3=NC(=C4CCCC4=C23)C5=CC=CC=C5)Cl
CC(=CCSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1)Cl
InChI=1SC22H18ClN3S2c113(23)101127222019(24122522)171585916(15)18(2621(17)2820)146324714h24671012H58911H21H3b1310
MFCD03301443
ZINC000013598297
ZINC13598297
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