Vitas-M small molecule compound
1-(2-chloro-5-fluorophenyl)-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
Catalog ID
STL158363
SMILES COCc1n[nH]/c(=N\C(=O)c2cnn(c2n2cccc2)c2cc(F)ccc2Cl)/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 C18H14ClFN6O2S MW 432.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClFN6O2S/c1-28-10-15-23-24-18(29-15)22-16(27)12-9-21-26(17(12)25-6-2-3-7-25)14-8-11(20)4-5-13(14)19/h2-9H,10H2,1H3,(H,22,24,27)InChIKey
LTBDEALBSNACOV-UHFFFAOYSA-NSynonyms
1246041-10-01(2chloro5fluorophenyl)N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)5(1Hpyrrol1yl)1Hpyrazole4carboxamide
1(2chloro5fluorophenyl)N(5(methoxymethyl)134thiadiazol2yl)5pyrrol1ylpyrazole4carboxamide
1246041100
COCC1=NN=C(S1)NC(=O)C2=C(N(N=C2)C3=C(C=CC(=C3)F)Cl)N4C=CC=C4
COCc1n(nH)c(=NC(=O)c2cnn(c2n2cccc2)c2cc(F)ccc2Cl)s1
InChI=1SC18H14ClFN6O2Sc1281015232418(2915)2216(27)1292126(17(12)25623725)14811(20)4513(14)19h29H10H21H3(H222427)
MFCD20758324
ZINC000096301030
ZINC96301030
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