Vitas-M small molecule compound
N-{4-[5-({4-[(4-ethoxyphenyl)carbamoyl]benzyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-4-fluorobenzamide
Catalog ID
STK147447
SMILES CCOc1ccc(cc1)NC(=O)c1ccc(cc1)CSc1nnc(n1C)c1ccc(cc1)NC(=O)c1ccc(cc1)F
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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 C32H28FN5O3S MW 581.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28FN5O3S/c1-3-41-28-18-16-27(17-19-28)35-30(39)23-6-4-21(5-7-23)20-42-32-37-36-29(38(32)2)22-10-14-26(15-11-22)34-31(40)24-8-12-25(33)13-9-24/h4-19H,3,20H2,1-2H3,(H,34,40)(H,35,39)InChIKey
VHXYJGGMBBFDEL-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F
InChI=1SC32H28FN5O3Sc134128181627(171928)3530(39)236421(5723)204232373629(38(32)2)22101426(151122)3431(40)2481225(33)13924h419H320H212H3(H3440)(H3539)
MFCD04333969
N(4(5((4((4ETHOXYPHENYL)CARBAMOYL)BENZYL)SULFANYL)4METHYL4H124TRIAZOL3YL)PHENYL)4FLUOROBENZAMIDE
N(4ETHOXYPHENYL)4((5(4((4FLUOROBENZOYL)AMINO)PHENYL)4METHYL124TRIAZOL3YL)SULFANYLMETHYL)BENZAMIDE
ZINC000097995732
ZINC97995732
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