Vitas-M small molecule compound
1-(4-bromophenyl)-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
Catalog ID
STL159571
SMILES COCc1n[nH]/c(=N\C(=O)c2cnn(c2n2cccc2)c2ccc(cc2)Br)/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 C18H15BrN6O2S MW 459.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN6O2S/c1-27-11-15-22-23-18(28-15)21-16(26)14-10-20-25(13-6-4-12(19)5-7-13)17(14)24-8-2-3-9-24/h2-10H,11H2,1H3,(H,21,23,26)InChIKey
HVELIKLPGBHSIN-UHFFFAOYSA-NSynonyms
1246042-42-11(4bromophenyl)N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)5(1Hpyrrol1yl)1Hpyrazole4carboxamide
1(4bromophenyl)N(5(methoxymethyl)134thiadiazol2yl)5pyrrol1ylpyrazole4carboxamide
1246042421
COCC1=NN=C(S1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)N4C=CC=C4
COCc1n(nH)c(=NC(=O)c2cnn(c2n2cccc2)c2ccc(cc2)Br)s1
InChI=1SC18H15BrN6O2Sc1271115222318(2815)2116(26)14102025(136412(19)5713)17(14)24823924h210H11H21H3(H212326)
MFCD20758730
ZINC000049547759
ZINC49547759
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