Vitas-M small molecule compound
N-(4-methylphenyl)-2-{[5-oxo-4-phenyl-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}acetamide
Catalog ID
STK531291
SMILES O=C(Nc1ccc(cc1)C)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)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 C28H27N5O3S2 MW 545.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3S2/c1-16(2)21-13-20-22(14-36-21)38-26-24(20)25(35)32(19-7-5-4-6-8-19)27-30-31-28(33(26)27)37-15-23(34)29-18-11-9-17(3)10-12-18/h4-12,16,21H,13-15H2,1-3H3,(H,29,34)InChIKey
MXJFXZBCRFORAI-UHFFFAOYSA-NSynonyms
2((7isopropyl5oxo4phenyl5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)N(ptolyl)acetamide
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C4=C(C5=C(S4)COC(C5)C(C)C)C(=O)N3C6=CC=CC=C6
InChI=1SC28H27N5O3S2c116(2)21132022(143621)382624(20)25(35)32(197546819)27303128(33(26)27)371523(34)291811917(3)101218h4121621H1315H213H3(H2934)
MFCD02989505
N(4methylphenyl)2((5oxo4phenyl7(propan2yl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
ZINC000001254596
ZINC000001254597
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