Vitas-M small molecule compound
4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Catalog ID
STL049027
SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)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 C18H20F3N5O5S2 MW 507.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20F3N5O5S2/c1-31-12-2-4-13(5-3-12)33(29,30)26-10-8-25(9-11-26)15(28)7-6-14(27)22-17-24-23-16(32-17)18(19,20)21/h2-5H,6-11H2,1H3,(H,22,24,27)InChIKey
ROEAQWJIWBPMAM-UHFFFAOYSA-NSynonyms
714283-00-84(4((4methoxyphenyl)sulfonyl)piperazin1yl)4oxoN((2Z)5(trifluoromethyl)134thiadiazol2(3H)ylidene)butanamide
4(4(4METHOXYPHENYL)SULFONYLPIPERAZIN1YL)4OXON(5(TRIFLUOROMETHYL)134THIADIAZOL2YL)BUTANAMIDE
714283008
COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)N=c1(nH)nc(s1)C(F)(F)F
InChI=1SC18H20F3N5O5S2c131122413(5312)33(2930)2610825(91126)15(28)7614(27)2217242316(3217)18(1920)21h25H611H21H3(H222427)
MFCD05725955
ZINC000017206807
ZINC17206807
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