Vitas-M small molecule compound
2-{[5-oxo-4-(2-phenylethyl)-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}-N-(4-phenylbutan-2-yl)acetamide
Catalog ID
STK543762
SMILES CC(NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)C(C)C)CCc1ccccc1
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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 C33H37N5O3S2 MW 615.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37N5O3S2/c1-21(2)26-18-25-27(19-41-26)43-31-29(25)30(40)37(17-16-24-12-8-5-9-13-24)32-35-36-33(38(31)32)42-20-28(39)34-22(3)14-15-23-10-6-4-7-11-23/h4-13,21-22,26H,14-20H2,1-3H3,(H,34,39)InChIKey
JNWTXHPKVKHROG-UHFFFAOYSA-NSynonyms
2((5oxo4(2phenylethyl)7(propan2yl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)N(4phenylbutan2yl)acetamide
2((7isopropyl5oxo4phenethyl5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)N(4phenylbutan2yl)acetamide
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)NC(C)CCC5=CC=CC=C5)CCC6=CC=CC=C6
InChI=1SC33H37N5O3S2c121(2)26182527(194126)433129(25)30(40)37(171624128591324)32353633(38(31)32)422028(39)3422(3)141523106471123h413212226H1420H213H3(H3439)
MFCD03295887
ZINC000101806830
ZINC000101806845
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