Vitas-M small molecule compound
N-benzyl-2-{[3-(3-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK542305
SMILES O=C(NCc1ccccc1)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)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 C28H29N3O3S2 MW 519.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S2/c1-17(2)22-13-21-23(15-34-22)36-26-25(21)27(33)31(20-11-7-8-18(3)12-20)28(30-26)35-16-24(32)29-14-19-9-5-4-6-10-19/h4-12,17,22H,13-16H2,1-3H3,(H,29,32)InChIKey
PYRRTLBLDQBAKQ-UHFFFAOYSA-NSynonyms
496796-12-4496796124
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)NCC4=CC=CC=C4)SC5=C3CC(OC5)C(C)C
InChI=1SC28H29N3O3S2c117(2)22132123(153422)362625(21)27(33)31(20117818(3)1220)28(3026)351624(32)29141995461019h4121722H1316H213H3(H2932)
MFCD03298819
Nbenzyl2((3(3methylphenyl)4oxo6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetamide
Nbenzyl2((3(3methylphenyl)4oxo6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetamide
Nbenzyl2((6isopropyl4oxo3(mtolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)acetamide
ZINC000001833083
ZINC000001833084
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