Vitas-M small molecule compound
3-{[2-(4-benzylphenyl)-2-oxoethyl]sulfanyl}-1,7,7-trimethyl-1,6,7,9-tetrahydro-5H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5-one
Catalog ID
STK741117
SMILES O=C(c1ccc(cc1)Cc1ccccc1)CSc1nn(c2n1c(=O)c1c(n2)sc2c1CC(C)(C)OC2)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 C28H26N4O3S2 MW 530.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O3S2/c1-28(2)14-20-22(15-35-28)37-24-23(20)25(34)32-26(29-24)31(3)30-27(32)36-16-21(33)19-11-9-18(10-12-19)13-17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3InChIKey
MEXRXUIDKYNORM-UHFFFAOYSA-NSynonyms
369608-77-53((2(4benzylphenyl)2oxoethyl)sulfanyl)177trimethyl1679tetrahydro5Hpyrano(4345)thieno(23d)(124)triazolo(43a)pyrimidin5one
3((2(4benzylphenyl)2oxoethyl)thio)177trimethyl67dihydro1Hpyrano(4345)thieno(23d)(124)triazolo(43a)pyrimidin5(9H)one
369608775
CC1(CC2=C(CO1)SC3=C2C(=O)N4C(=N3)N(N=C4SCC(=O)C5=CC=C(C=C5)CC6=CC=CC=C6)C)C
InChI=1SC28H26N4O3S2c128(2)142022(153528)372423(20)25(34)3226(2924)31(3)3027(32)361621(33)1911918(101219)13177546817h412H1316H213H3
MFCD01557164
ZINC000002350484
ZINC2350484
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