Vitas-M small molecule compound
pentyl {[4-(4-methylphenyl)-5-oxo-7-(propan-2-yl)-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}acetate
Catalog ID
STK943011
SMILES CCCCCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CC(OC3)C(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 C27H32N4O4S2 MW 540.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O4S2/c1-5-6-7-12-34-22(32)15-36-27-29-28-26-30(18-10-8-17(4)9-11-18)24(33)23-19-13-20(16(2)3)35-14-21(19)37-25(23)31(26)27/h8-11,16,20H,5-7,12-15H2,1-4H3InChIKey
QWDLBRNSWIQOHJ-UHFFFAOYSA-NSynonyms
370576-18-4370576184
CCCCCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)COC(C4)C(C)C)C(=O)N2C5=CC=C(C=C5)C
InChI=1SC27H32N4O4S2c1567123422(32)15362729282630(1810817(4)91118)24(33)23191320(16(2)3)351421(19)3725(23)31(26)27h8111620H571215H214H3
MFCD03011245
pentyl((4(4methylphenyl)5oxo7(propan2yl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
pentyl2((7isopropyl5oxo4(ptolyl)5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
ZINC000002316632
ZINC000002316633
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