Vitas-M small molecule compound
2-{[2,2-dimethyl-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(diphenylmethyl)acetamide
Catalog ID
STL408420
SMILES O=C(NC(c1ccccc1)c1ccccc1)CSc1ncnc2c1sc1c2c2CC(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 C33H33N5O2S2 MW 595.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N5O2S2/c1-33(2)17-23-24(18-40-33)30(38-15-9-10-16-38)37-31-26(23)28-29(42-31)32(35-20-34-28)41-19-25(39)36-27(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-14,20,27H,9-10,15-19H2,1-2H3,(H,36,39)InChIKey
SLQKROAFSFFJNL-UHFFFAOYSA-NSynonyms
2((22dimethyl5(pyrrolidin1yl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)sulfanyl)N(diphenylmethyl)acetamide
CC1(CC2=C3C4=C(C(=NC=N4)SCC(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6)SC3=NC(=C2CO1)N7CCCC7)C
InChI=1SC33H33N5O2S2c133(2)172324(184033)30(38159101638)373126(23)2829(4231)32(35203428)411925(39)3627(21115361221)22137481422h3811142027H9101519H212H3(H3639)
MFCD03682478
Nbenzhydryl2((22dimethyl5(pyrrolidin1yl)24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)thio)acetamide
ZINC000053319513
ZINC53319513
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