Vitas-M small molecule compound
2-{[4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-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-phenylacetamide
Catalog ID
STK720456
SMILES O=C(Nc1ccccc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)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 C26H22ClN5O3S2 MW 552.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN5O3S2/c1-26(2)12-18-19(13-35-26)37-23-21(18)22(34)31(17-10-6-7-15(27)11-17)24-29-30-25(32(23)24)36-14-20(33)28-16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,28,33)InChIKey
DEZXDXLZFKKZBS-UHFFFAOYSA-NSynonyms
2((4(3chlorophenyl)77dimethyl5oxo4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)Nphenylacetamide
2((4(3chlorophenyl)77dimethyl5oxo5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)Nphenylacetamide
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)NC5=CC=CC=C5)C6=CC(=CC=C6)Cl)C
InChI=1SC26H22ClN5O3S2c126(2)121819(133526)372321(18)22(34)31(17106715(27)1117)24293025(32(23)24)361420(33)28168435916h311H1214H212H3(H2833)
MFCD04010725
ZINC000001315122
ZINC01315122
ZINC1315122
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