Vitas-M small molecule compound
N-{4-[(5-{(Z)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2-methoxybenzyl)oxy]phenyl}acetamide
Catalog ID
STK563198
SMILES COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=C\1/C(=O)N=C(N(C1=O)c1cccc(c1)F)S
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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 C27H22FN3O5S MW 519.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22FN3O5S/c1-16(32)29-20-7-9-22(10-8-20)36-15-18-12-17(6-11-24(18)35-2)13-23-25(33)30-27(37)31(26(23)34)21-5-3-4-19(28)14-21/h3-14H,15H2,1-2H3,(H,29,32)(H,30,33,37)/b23-13-InChIKey
KDKDSNJGRPWSPB-QRVIBDJDSA-NSynonyms
372498-04-9372498049
CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F)OC
COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C=C1C(=O)N=C(N(C1=O)c1cccc(c1)F)S
InChI=1SC27H22FN3O5Sc116(32)29207922(10820)3615181217(61124(18)352)132325(33)3027(37)31(26(23)34)2153419(28)1421h314H15H212H3(H2932)(H303337)b2313
MFCD03816470
N(4((5((Z)(1(3fluorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)2methoxybenzyl)oxy)phenyl)acetamide
N(4((5((Z)(1(3FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)METHOXY)PHENYL)ACETAMIDE
ZINC000002277329
ZINC02277329
ZINC17179888
ZINC2277329
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.