Vitas-M small molecule compound
1-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK722379
SMILES O=C(c1ccccc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCCC3
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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 C26H22N4O2S2 MW 486.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O2S2/c31-20(17-10-4-1-5-11-17)16-33-26-28-27-25-29(18-12-6-2-7-13-18)23(32)22-19-14-8-3-9-15-21(19)34-24(22)30(25)26/h1-2,4-7,10-13H,3,8-9,14-16H2InChIKey
XQSJZXGOQWRIFN-UHFFFAOYSA-NSynonyms
351161-74-51((2oxo2phenylethyl)sulfanyl)4phenyl78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2oxo2phenylethyl)thio)4phenyl78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
351161745
C1CCC2=C(CC1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC26H22N4O2S2c3120(17104151117)16332628272529(18126271318)23(32)2219148391521(19)3424(22)30(25)26h12471013H3891416H2
MFCD01879888
ZINC000002275346
ZINC02275346
ZINC2275346
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