Vitas-M small molecule compound
N-benzyl-2-{[4-(4-methylphenyl)-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}propanamide
Catalog ID
STK539902
SMILES O=C(C(Sc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CC(OC3)C(C)C)C)NCc1ccccc1
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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 C30H31N5O3S2 MW 573.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N5O3S2/c1-17(2)23-14-22-24(16-38-23)40-28-25(22)27(37)34(21-12-10-18(3)11-13-21)29-32-33-30(35(28)29)39-19(4)26(36)31-15-20-8-6-5-7-9-20/h5-13,17,19,23H,14-16H2,1-4H3,(H,31,36)InChIKey
LNFMVONAVZDICQ-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SC(C)C(=O)NCC5=CC=CC=C5)SC6=C3CC(OC6)C(C)C
InChI=1SC30H31N5O3S2c117(2)23142224(163823)402825(22)27(37)34(21121018(3)111321)29323330(35(28)29)3919(4)26(36)3115208657920h513171923H1416H214H3(H3136)
MFCD03009025
Nbenzyl2((4(4methylphenyl)5oxo7(propan2yl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)propanamide
Nbenzyl2((7isopropyl5oxo4(ptolyl)5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)propanamide
ZINC000001800720
ZINC000001800727
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