Vitas-M small molecule compound
2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Catalog ID
STK987453
SMILES COc1cc(CCNC(=O)CSc2nnc(n2N)c2cccc(c2)F)ccc1OC
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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 C20H22FN5O3S MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN5O3S/c1-28-16-7-6-13(10-17(16)29-2)8-9-23-18(27)12-30-20-25-24-19(26(20)22)14-4-3-5-15(21)11-14/h3-7,10-11H,8-9,12,22H2,1-2H3,(H,23,27)InChIKey
ZOACDQDOAOKLGM-UHFFFAOYSA-NSynonyms
2((4amino5(3fluorophenyl)124triazol3yl)sulfanyl)N(2(34dimethoxyphenyl)ethyl)acetamide
2((4amino5(3fluorophenyl)4H124triazol3yl)sulfanyl)N(2(34dimethoxyphenyl)ethyl)acetamide
COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)F)OC
InChI=1SC20H22FN5O3Sc128167613(1017(16)292)892318(27)123020252419(26(20)22)1443515(21)1114h371011H891222H212H3(H2327)
MFCD18184211
ZINC000009800959
ZINC09800959
ZINC9800959
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