Vitas-M small molecule compound

N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STL342027
SMILES COc1cc(Cl)c(cc1NC(=O)CSc1nnc(n1Cc1ccco1)c1cnccn1)C

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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 C21H19ClN6O3S MW 470.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O3S/c1-13-8-16(18(30-2)9-15(13)22)25-19(29)12-32-21-27-26-20(17-10-23-5-6-24-17)28(21)11-14-4-3-7-31-14/h3-10H,11-12H2,1-2H3,(H,25,29)
InChIKey
VYXOSUSRZBQMJA-UHFFFAOYSA-N
Synonyms
586986-40-5
586986405
CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4
InChI=1SC21H19ClN6O3Sc113816(18(302)915(13)22)2519(29)123221272620(171023562417)28(21)11144373114h310H1112H212H3(H2529)
MFCD04031956
N(4chloro2methoxy5methylphenyl)2((4(furan2ylmethyl)5(pyrazin2yl)4H124triazol3yl)sulfanyl)acetamide
N(4chloro2methoxy5methylphenyl)2((4(furan2ylmethyl)5(pyrazin2yl)4H124triazol3yl)thio)acetamide
N(4CHLORO2METHOXY5METHYLPHENYL)2((4(FURAN2YLMETHYL)5PYRAZIN2YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4CHLORO2METHOXY5METHYLPHENYL)2(4(2FURYLMETHYL)5PYRAZIN2YL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002394969
ZINC02394969
ZINC2394969

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Available files

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