Vitas-M small molecule compound

N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide

Catalog ID
STL423477
SMILES CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1c[nH]nc1c1ccc(cc1)OC

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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 C22H23N5O2S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2S/c1-29-15-9-7-14(8-10-15)20-16(13-23-27-20)22(28)26-19(11-12-30-2)21-24-17-5-3-4-6-18(17)25-21/h3-10,13,19H,11-12H2,1-2H3,(H,23,27)(H,24,25)(H,26,28)
InChIKey
XZIJZOWZSFQAJS-UHFFFAOYSA-N
Synonyms

(S)N(1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)5(4methoxyphenyl)1Hpyrazole4carboxamide
COC1=CC=C(C=C1)C2=C(C=NN2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3
CSCC(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)c1cn(nH)c1c1ccc(cc1)OC
CSCCC(c1nc2c((nH)1)cccc2)NC(=O)c1c(nH)nc1c1ccc(cc1)OC
InChI=1SC22H23N5O2Sc129159714(81015)2016(13232720)22(28)2619(1112302)212417534618(17)2521h3101319H1112H212H3(H2327)(H2425)(H2628)
MFCD30708789
N(1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)3(4methoxyphenyl)1Hpyrazole4carboxamide
N(1(1Hbenzimidazol2yl)3methylsulfanylpropyl)5(4methoxyphenyl)1Hpyrazole4carboxamide
ZINC000218482362
ZINC000252571474

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Available files

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