Vitas-M small molecule compound

2-[(1,3-benzodioxol-5-yloxy)acetyl]-N-[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]hydrazinecarbothioamide

Catalog ID
STK436931
SMILES O=C(COc1ccc2c(c1)OCO2)NNC(=S)Nc1ccn(n1)Cc1ccc(cc1)Cl

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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 C20H18ClN5O4S MW 459.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O4S/c21-14-3-1-13(2-4-14)10-26-8-7-18(25-26)22-20(31)24-23-19(27)11-28-15-5-6-16-17(9-15)30-12-29-16/h1-9H,10-12H2,(H,23,27)(H2,22,24,25,31)
InChIKey
NKGREWIIURZNHY-UHFFFAOYSA-N
Synonyms

1((2(13BENZODIOXOL5YLOXY)ACETYL)AMINO)3(1((4CHLOROPHENYL)METHYL)PYRAZOL3YL)THIOUREA
2((13benzodioxol5yloxy)acetyl)N(1(4chlorobenzyl)1Hpyrazol3yl)hydrazinecarbothioamide
2(2HBENZO(34D)13DIOXOLAN5YLOXY)N((((1((4CHLOROPHENYL)METHYL)PYRAZOL3YL)AMINO)THIOXOMETHYL)AMINO)ACETAMIDE
C1OC2=C(O1)C=C(C=C2)OCC(=O)NNC(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl
InChI=1SC20H18ClN5O4Sc21143113(2414)10268718(2526)2220(31)242319(27)112815561617(915)30122916h19H1012H2(H2327)(H222242531)
MFCD03945212
ZINC000020457978
ZINC20457978

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Available files

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