Vitas-M small molecule compound
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide
Catalog ID
STK911704
SMILES COc1cc(CCNC(=O)c2nc(ncc2Cl)SCc2ccc(cc2)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 C22H21ClFN3O3S MW 461.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClFN3O3S/c1-29-18-8-5-14(11-19(18)30-2)9-10-25-21(28)20-17(23)12-26-22(27-20)31-13-15-3-6-16(24)7-4-15/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,28)InChIKey
SDDMESPNLHYLOK-UHFFFAOYSA-NSynonyms
874137-53-85chloroN(2(34dimethoxyphenyl)ethyl)2((4fluorobenzyl)sulfanyl)pyrimidine4carboxamide
5chloroN(2(34dimethoxyphenyl)ethyl)2((4fluorophenyl)methylsulfanyl)pyrimidine4carboxamide
874137538
COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F)OC
InChI=1SC22H21ClFN3O3Sc129188514(1119(18)302)9102521(28)2017(23)122622(2720)3113153616(24)7415h381112H91013H212H3(H2528)
MFCD07426637
ZINC000008613846
ZINC08613846
ZINC8613846
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