Vitas-M small molecule compound
N,N-dibutyl-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}acetamide
Catalog ID
STK721030
SMILES CCCCN(C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)(C)C)CCCC
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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 C30H39N5O3S2 MW 581.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N5O3S2/c1-5-7-15-33(16-8-6-2)24(36)20-39-29-32-31-28-34(17-14-21-12-10-9-11-13-21)26(37)25-22-18-30(3,4)38-19-23(22)40-27(25)35(28)29/h9-13H,5-8,14-20H2,1-4H3InChIKey
NXJQSDQAHGCWJM-UHFFFAOYSA-NSynonyms
CCCCN(CCCC)C(=O)CSC1=NN=C2N1C3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2CCC5=CC=CC=C5
InChI=1SC30H39N5O3S2c1571533(16862)24(36)20392932312834(17142112109111321)26(37)25221830(34)381923(22)4027(25)35(28)29h913H581420H214H3
MFCD03294553
NNdibutyl2((77dimethyl5oxo4(2phenylethyl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
NNdibutyl2((77dimethyl5oxo4phenethyl5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
ZINC000100062074
ZINC100062074
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