Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-10-phenyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Catalog ID
STL226987
SMILES c1ccc(cc1)c1nc2sc3c(c2c2c1CCC2)ncn1c3nnc1SCc1ccc2c(c1)OCO2
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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 C27H19N5O2S2 MW 509.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N5O2S2/c1-2-5-16(6-3-1)22-18-8-4-7-17(18)21-23-24(36-26(21)29-22)25-30-31-27(32(25)13-28-23)35-12-15-9-10-19-20(11-15)34-14-33-19/h1-3,5-6,9-11,13H,4,7-8,12,14H2InChIKey
LPDPFJDIRKEPSC-UHFFFAOYSA-NSynonyms
500195-25-53((13benzodioxol5ylmethyl)sulfanyl)10phenyl89dihydro7Hcyclopenta(45)pyrido(3245)thieno(23e)(124)triazolo(43c)pyrimidine
3((benzo(d)(13)dioxol5ylmethyl)thio)10phenyl89dihydro7Hcyclopenta(45)pyrido(3245)thieno(23e)(124)triazolo(43c)pyrimidine
500195255
C1CC2=C3C4=C(C5=NN=C(N5C=N4)SCC6=CC7=C(C=C6)OCO7)SC3=NC(=C2C1)C8=CC=CC=C8
InChI=1SC27H19N5O2S2c12516(631)221884717(18)212324(3626(21)2922)25303127(32(25)132823)3512159101920(1115)34143319h135691113H4781214H2
MFCD03304866
ZINC000008838276
ZINC08838276
ZINC8838276
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