Vitas-M small molecule compound
N-(3,4-dichlorophenyl)-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}acetamide
Catalog ID
STK721038
SMILES O=C(Nc1ccc(c(c1)Cl)Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)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 C28H25Cl2N5O3S2 MW 614.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25Cl2N5O3S2/c1-14(2)21-11-18-22(12-38-21)40-26-24(18)25(37)34(17-7-4-15(3)5-8-17)27-32-33-28(35(26)27)39-13-23(36)31-16-6-9-19(29)20(30)10-16/h4-10,14,21H,11-13H2,1-3H3,(H,31,36)InChIKey
PJMHMXNOVFLWHH-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)NC5=CC(=C(C=C5)Cl)Cl)SC6=C3CC(OC6)C(C)C
InChI=1SC28H25Cl2N5O3S2c114(2)21111822(123821)402624(18)25(37)34(177415(3)5817)27323328(35(26)27)391323(36)31166919(29)20(30)1016h4101421H1113H213H3(H3136)
MFCD03284824
N(34dichlorophenyl)2((4(4methylphenyl)5oxo7(propan2yl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
N(34dichlorophenyl)2((7isopropyl5oxo4(ptolyl)5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
ZINC000100058883
ZINC000100058885
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