Vitas-M small molecule compound
2-{[7,7-dimethyl-5-oxo-4-(2-phenylethyl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide
Catalog ID
STL334130
SMILES O=C(NCc1ccco1)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)(C)C
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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 C27H27N5O4S2 MW 549.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4S2/c1-27(2)13-19-20(15-36-27)38-24-22(19)23(34)31(11-10-17-7-4-3-5-8-17)25-29-30-26(32(24)25)37-16-21(33)28-14-18-9-6-12-35-18/h3-9,12H,10-11,13-16H2,1-2H3,(H,28,33)InChIKey
ZXENFGNORTYSRO-UHFFFAOYSA-NSynonyms
488801-71-42((77dimethyl5oxo4(2phenylethyl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)N(furan2ylmethyl)acetamide
2((77dimethyl5oxo4phenethyl5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)N(furan2ylmethyl)acetamide
488801714
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)NCC5=CC=CO5)CCC6=CC=CC=C6)C
InChI=1SC27H27N5O4S2c127(2)131920(153627)382422(19)23(34)31(1110177435817)25293026(32(24)25)371621(33)28141896123518h3912H10111316H212H3(H2833)
MFCD03293031
ZINC000002343062
ZINC2343062
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