Vitas-M small molecule compound
2-{[4-benzyl-5-oxo-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-phenylpropanamide
Catalog ID
STK541315
SMILES CC(C(=O)Nc1ccccc1)Sc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)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/c1-17(2)22-14-21-23(16-37-22)39-27-24(21)26(36)33(15-19-10-6-4-7-11-19)28-31-32-29(34(27)28)38-18(3)25(35)30-20-12-8-5-9-13-20/h4-13,17-18,22H,14-16H2,1-3H3,(H,30,35)InChIKey
FIGFZNUSQYUHIP-UHFFFAOYSA-NSynonyms
2((4benzyl5oxo7(propan2yl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)Nphenylpropanamide
2((4benzyl7isopropyl5oxo5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)Nphenylpropanamide
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SC(C)C(=O)NC5=CC=CC=C5)CC6=CC=CC=C6
InChI=1SC29H29N5O3S2c117(2)22142123(163722)392724(21)26(36)33(1519106471119)28313229(34(27)28)3818(3)25(35)3020128591320h413171822H1416H213H3(H3035)
MFCD03284425
ZINC000001791037
ZINC000001791043
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