Vitas-M small molecule compound
N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-methoxybenzamide
Catalog ID
STK245779
SMILES COc1ccccc1C(=O)NCc1nnc(n1C)SCC(=O)Nc1nc2c(s1)cccc2
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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 C21H20N6O3S2 MW 468.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O3S2/c1-27-17(11-22-19(29)13-7-3-5-9-15(13)30-2)25-26-21(27)31-12-18(28)24-20-23-14-8-4-6-10-16(14)32-20/h3-10H,11-12H2,1-2H3,(H,22,29)(H,23,24,28)InChIKey
KTYTWWNZPHDGIE-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CNC(=O)C4=CC=CC=C4OC
InChI=1SC21H20N6O3S2c12717(112219(29)13735915(13)302)252621(27)311218(28)242023148461016(14)3220h310H1112H212H3(H2229)(H232428)
MFCD08670497
N((5((2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)2METHOXYBENZAMIDE
N((5(2(13benzothiazol2ylamino)2oxoethyl)sulfanyl4methyl124triazol3yl)methyl)2methoxybenzamide
ZINC000009328089
ZINC09328089
ZINC9328089
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