Vitas-M small molecule compound

N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxamide

Catalog ID
STL309274
SMILES COCc1n[nH]/c(=N\C(=O)c2cn(c3cc(F)c(c(c3)F)F)c(=O)c3c2cccc3)/s1

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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 C20H13F3N4O3S MW 446.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13F3N4O3S/c1-30-9-16-25-26-20(31-16)24-18(28)13-8-27(10-6-14(21)17(23)15(22)7-10)19(29)12-5-3-2-4-11(12)13/h2-8H,9H2,1H3,(H,24,26,28)
InChIKey
UWUYDGVMYPIKKU-UHFFFAOYSA-N
Synonyms
1435977-54-0
1435977540
COCC1=NN=C(S1)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C(=C4)F)F)F
COCc1n(nH)c(=NC(=O)c2cn(c3cc(F)c(c(c3)F)F)c(=O)c3c2cccc3)s1
InChI=1SC20H13F3N4O3Sc130916252620(3116)2418(28)13827(10614(21)17(23)15(22)710)19(29)12532411(12)13h28H9H21H3(H242628)
MFCD28028831
N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)1oxo2(345trifluorophenyl)12dihydroisoquinoline4carboxamide
N(5(methoxymethyl)134thiadiazol2yl)1oxo2(345trifluorophenyl)isoquinoline4carboxamide
ZINC000095472444
ZINC95472444

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Available files

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