Vitas-M small molecule compound
2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
Catalog ID
STK123678
SMILES CCC(C(=O)Nc1nnc(s1)C(C)C)Sc1nc(c2cccc(c2)OC)c(c(=O)[nH]1)C#N
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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 C21H22N6O3S2 MW 470.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O3S2/c1-5-15(18(29)25-21-27-26-19(32-21)11(2)3)31-20-23-16(14(10-22)17(28)24-20)12-7-6-8-13(9-12)30-4/h6-9,11,15H,5H2,1-4H3,(H,23,24,28)(H,25,27,29)InChIKey
NHSQJMDBOPMJGM-UHFFFAOYSA-NSynonyms
444908-55-82((5CYANO4(3METHOXYPHENYL)6OXO16DIHYDRO2PYRIMIDINYL)SULFANYL)N(5ISOPROPYL134THIADIAZOL2YL)BUTANAMIDE
2((5CYANO4(3METHOXYPHENYL)6OXO16DIHYDRO2PYRIMIDINYL)THIO)N(5ISOPROPYL134THIADIAZOL2YL)BUTANAMIDE
2((5CYANO4(3METHOXYPHENYL)6OXO16DIHYDROPYRIMIDIN2YL)SULFANYL)N(5(PROPAN2YL)134THIADIAZOL2YL)BUTANAMIDE
2((5CYANO6(3METHOXYPHENYL)4OXO1HPYRIMIDIN2YL)SULFANYL)N(5PROPAN2YL134THIADIAZOL2YL)BUTANAMIDE
444908558
CCC(C(=O)NC1=NN=C(S1)C(C)C)SC2=NC(=O)C(=C(N2)C3=CC(=CC=C3)OC)C#N
CCC(C(=O)Nc1nnc(s1)C(C)C)Sc1nc(c2cccc(c2)OC)c(c(=O)(nH)1)C#N
InChI=1SC21H22N6O3S2c1515(18(29)2521272619(3221)11(2)3)31202316(14(1022)17(28)2420)1276813(912)304h691115H5H214H3(H232428)(H252729)
MFCD02056424
ZINC000018094201
ZINC000018094203
Check stock
See real-time availability and sample size for STK123678 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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