Vitas-M small molecule compound
2,2-dimethyl-9-(2-methylprop-2-en-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8(9H)-one
Catalog ID
STL233102
SMILES CC(=C)Cn1nnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1
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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 C21H25N5O2S MW 411.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O2S/c1-12(2)10-26-20(27)17-16(23-24-26)15-13-9-21(3,4)28-11-14(13)18(22-19(15)29-17)25-7-5-6-8-25/h1,5-11H2,2-4H3InChIKey
ZMXMQIATNDKHPG-UHFFFAOYSA-NSynonyms
951972-06-822dimethyl9(2methylallyl)5(pyrrolidin1yl)49dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)(123)triazin8(2H)one
22dimethyl9(2methylprop2en1yl)5(pyrrolidin1yl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)(123)triazin8(9H)one
951972068
CC(=C)CN1C(=O)C2=C(C3=C4CC(OCC4=C(N=C3S2)N5CCCC5)(C)C)N=N1
InChI=1SC21H25N5O2Sc112(2)102620(27)1716(232426)1513921(34)281114(13)18(2219(15)2917)25756825h1511H224H3
MFCD09858632
ZINC000013734901
ZINC13734901
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