Vitas-M small molecule compound
methyl 2-{[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}propanoate
Catalog ID
STK538772
SMILES COC(=O)C(Sc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CC(OC3)C(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 C24H26N4O4S2 MW 498.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O4S2/c1-12(2)17-10-16-18(11-32-17)34-21-19(16)20(29)27(15-8-6-13(3)7-9-15)23-25-26-24(28(21)23)33-14(4)22(30)31-5/h6-9,12,14,17H,10-11H2,1-5H3InChIKey
UYSHYDJLQUKKFF-UHFFFAOYSA-NSynonyms
383901-17-5383901175
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SC(C)C(=O)OC)SC5=C3CC(OC5)C(C)C
InChI=1SC24H26N4O4S2c112(2)17101618(113217)342119(16)20(29)27(158613(3)7915)23252624(28(21)23)3314(4)22(30)315h69121417H1011H215H3
methyl2((4(4methylphenyl)5oxo7(propan2yl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)propanoate
methyl2((7isopropyl5oxo4(ptolyl)5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)propanoate
MFCD03283866
ZINC000001252593
ZINC000009237094
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