Vitas-M small molecule compound
4-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Catalog ID
STL049200
SMILES COc1ccc(cc1F)CN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)CC(C)C
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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 C22H30FN5O3S MW 463.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30FN5O3S/c1-15(2)12-20-25-26-22(32-20)24-19(29)6-7-21(30)28-10-8-27(9-11-28)14-16-4-5-18(31-3)17(23)13-16/h4-5,13,15H,6-12,14H2,1-3H3,(H,24,26,29)InChIKey
JHHAMQOEALLLRE-UHFFFAOYSA-NSynonyms
714235-17-34(4((3FLUORO4METHOXYPHENYL)METHYL)PIPERAZIN1YL)N(5(2METHYLPROPYL)134THIADIAZOL2YL)4OXOBUTANAMIDE
4(4(3fluoro4methoxybenzyl)piperazin1yl)N((2Z)5(2methylpropyl)134thiadiazol2(3H)ylidene)4oxobutanamide
714235173
CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F
COc1ccc(cc1F)CN1CCN(CC1)C(=O)CCC(=O)N=c1(nH)nc(s1)CC(C)C
InChI=1SC22H30FN5O3Sc115(2)1220252622(3220)2419(29)6721(30)2810827(91128)14164518(313)17(23)1316h451315H61214H213H3(H242629)
MFCD05728888
ZINC000017208701
ZINC17208701
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