Vitas-M small molecule compound

4-[4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide

Catalog ID
STL151302
SMILES COc1ccc(cc1CN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C(C)C)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 C21H28FN5O3S MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28FN5O3S/c1-14(2)20-24-25-21(31-20)23-18(28)6-7-19(29)27-10-8-26(9-11-27)13-15-12-16(22)4-5-17(15)30-3/h4-5,12,14H,6-11,13H2,1-3H3,(H,23,25,28)
InChIKey
NTMSGSHPCMREQO-UHFFFAOYSA-N
Synonyms
713086-47-6
4(4((5FLUORO2METHOXYPHENYL)METHYL)PIPERAZIN1YL)4OXON(5PROPAN2YL134THIADIAZOL2YL)BUTANAMIDE
4(4(5FLUORO2METHOXYBENZYL)PIPERAZIN1YL)4OXON((2Z)5(PROPAN2YL)134THIADIAZOL2(3H)YLIDENE)BUTANAMIDE
713086476
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=C(C=CC(=C3)F)OC
COc1ccc(cc1CN1CCN(CC1)C(=O)CCC(=O)N=c1(nH)nc(s1)C(C)C)F
InChI=1SC21H28FN5O3Sc114(2)20242521(3120)2318(28)6719(29)2710826(91127)13151216(22)4517(15)303h451214H61113H213H3(H232528)
MFCD05724634
ZINC000017205929
ZINC17205929

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Available files

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