Vitas-M small molecule compound

methyl 1-methyl-5,6-diphenyl-2-(trichloromethyl)-1,5-dihydro-4lambda~4~-[1,2,4]thiadiazolo[5,1-e][1,2,4]thiadiazole-3(2H)-carboxylate

Catalog ID
STK400687
SMILES COC(=O)N1S2=C(N(C1C(Cl)(Cl)Cl)C)N=C(N2c1ccccc1)c1ccccc1

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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 C19H17Cl3N4O2S MW 471.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17Cl3N4O2S/c1-24-16(19(20,21)22)26(18(27)28-2)29-17(24)23-15(13-9-5-3-6-10-13)25(29)14-11-7-4-8-12-14/h3-12,16H,1-2H3
InChIKey
QDKHLXJODRWUFK-UHFFFAOYSA-N
Synonyms
1019101-49-5
1019101495
CN1C(N(S2=C1N=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)C(Cl)(Cl)Cl
InChI=1SC19H17Cl3N4O2Sc12416(19(2021)22)26(18(27)282)2917(24)2315(1395361013)25(29)14117481214h31216H12H3
methyl1methyl56diphenyl2(trichloromethyl)15dihydro4lambda~4~(124)thiadiazolo(51e)(124)thiadiazole3(2H)carboxylate
METHYL1METHYL56DIPHENYL2(TRICHLOROMETHYL)15DIHYDRO4LAMBDA4(124)THIADIAZOLO(51E)(124)THIADIAZOLE3(2H)CARBOXYLATE
methyl6methyl23diphenyl7(trichloromethyl)1$l^(4)thia2468tetrazabicyclo(330)octa1(5)3diene8carboxylate
MFCD05718728
ZINC000012438445
ZINC000012438447

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Available files

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