Vitas-M small molecule compound
8-benzyl-4-(3-methylphenyl)-1-{[4-(propan-2-yloxy)benzyl]sulfanyl}-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK541669
SMILES CC(Oc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCN(C3)Cc1ccccc1)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 C34H33N5O2S2 MW 607.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N5O2S2/c1-22(2)41-27-14-12-25(13-15-27)21-42-34-36-35-33-38(26-11-7-8-23(3)18-26)31(40)30-28-16-17-37(19-24-9-5-4-6-10-24)20-29(28)43-32(30)39(33)34/h4-15,18,22H,16-17,19-21H2,1-3H3InChIKey
RSDVBVNHKAYOLE-UHFFFAOYSA-NSynonyms
8benzyl1((4isopropoxybenzyl)thio)4(mtolyl)6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
8benzyl4(3methylphenyl)1((4(propan2yloxy)benzyl)sulfanyl)6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC=C(C=C5)OC(C)C)SC6=C3CCN(C6)CC7=CC=CC=C7
InChI=1SC34H33N5O2S2c122(2)4127141225(131527)21423436353338(26117823(3)1826)31(40)3028161737(192495461024)2029(28)4332(30)39(33)34h4151822H16171921H213H3
MFCD03304531
ZINC000102376355
ZINC102376355
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