Vitas-M small molecule compound
2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-hydroxypropyl)acetamide
Catalog ID
STL079458
SMILES OCCCNC(=O)CSc1nnc(n1c1ccccc1)CSc1nc2c(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 C21H21N5O2S3 MW 471.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S3/c27-12-6-11-22-19(28)14-29-20-25-24-18(26(20)15-7-2-1-3-8-15)13-30-21-23-16-9-4-5-10-17(16)31-21/h1-5,7-10,27H,6,11-14H2,(H,22,28)InChIKey
DLCRRKAJSZYJND-UHFFFAOYSA-NSynonyms
315702-27-32((5((13benzothiazol2ylsulfanyl)methyl)4phenyl4H124triazol3yl)sulfanyl)N(3hydroxypropyl)acetamide
2((5(13BENZOTHIAZOL2YLSULFANYLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(3HYDROXYPROPYL)ACETAMIDE
2(5(BENZOTHIAZOL2YLTHIOMETHYL)4PHENYL(124TRIAZOL3YLTHIO))N(3HYDROXYPROPYL)ACETAMIDE
315702273
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCO)CSC3=NC4=CC=CC=C4S3
InChI=1SC21H21N5O2S3c27126112219(28)142920252418(26(20)157213815)13302123169451017(16)3121h1571027H61114H2(H2228)
MFCD02329948
ZINC000001895737
ZINC01895737
ZINC1895737
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