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-(2-phenylethyl)acetamide
Catalog ID
STK557308
SMILES O=C(CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CC(OC3)(C)C)NCCc1ccccc1
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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 C28H26ClN5O3S2 MW 580.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN5O3S2/c1-28(2)14-20-21(15-37-28)39-25-23(20)24(36)33(19-10-6-9-18(29)13-19)26-31-32-27(34(25)26)38-16-22(35)30-12-11-17-7-4-3-5-8-17/h3-10,13H,11-12,14-16H2,1-2H3,(H,30,35)InChIKey
IYCILOOGVVRDDC-UHFFFAOYSA-NSynonyms
2((4(3chlorophenyl)77dimethyl5oxo4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)N(2phenylethyl)acetamide
2((4(3chlorophenyl)77dimethyl5oxo5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)Nphenethylacetamide
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)NCCC5=CC=CC=C5)C6=CC(=CC=C6)Cl)C
InChI=1SC28H26ClN5O3S2c128(2)142021(153728)392523(20)24(36)33(19106918(29)1319)26313227(34(25)26)381622(35)301211177435817h31013H11121416H212H3(H3035)
MFCD04024366
ZINC000001275734
ZINC01275734
ZINC1275734
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