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-phenylacetamide
Catalog ID
STL408966
SMILES O=C(Nc1ccccc1)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)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 C29H29N5O3S2 MW 559.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O3S2/c1-18(2)22-15-21-23(16-37-22)39-27-25(21)26(36)33(14-13-19-9-5-3-6-10-19)28-31-32-29(34(27)28)38-17-24(35)30-20-11-7-4-8-12-20/h3-12,18,22H,13-17H2,1-2H3,(H,30,35)InChIKey
ADUKHRJFEFWSGU-UHFFFAOYSA-NSynonyms
2((5oxo4(2phenylethyl)7(propan2yl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)Nphenylacetamide
2((7isopropyl5oxo4phenethyl5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)Nphenylacetamide
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)NC5=CC=CC=C5)CCC6=CC=CC=C6
InChI=1SC29H29N5O3S2c118(2)22152123(163722)392725(21)26(36)33(14131995361019)28313229(34(27)28)381724(35)3020117481220h3121822H1317H212H3(H3035)
MFCD03300246
ZINC000001245429
ZINC000001245430
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