Vitas-M small molecule compound
2-{[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Catalog ID
STL041853
SMILES O=C(CSc1sc2c(n1)ccc(c2)NC(=O)CSc1nnc(n1C)c1cccc(c1)N)NCc1ccccc1
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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 C27H25N7O2S3 MW 575.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N7O2S3/c1-34-25(18-8-5-9-19(28)12-18)32-33-26(34)37-16-24(36)30-20-10-11-21-22(13-20)39-27(31-21)38-15-23(35)29-14-17-6-3-2-4-7-17/h2-13H,14-16,28H2,1H3,(H,29,35)(H,30,36)InChIKey
SMJWSHAYZSKNLG-UHFFFAOYSA-NSynonyms
2((5(3AMINOPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)N(2(2(BENZYLAMINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)ACETAMIDE
2((5(3aminophenyl)4methyl4H124triazol3yl)sulfanyl)N(2((2(benzylamino)2oxoethyl)sulfanyl)13benzothiazol6yl)acetamide
2((5(3aminophenyl)4methyl4H124triazol3yl)thio)N(2((2(benzylamino)2oxoethyl)thio)benzo(d)thiazol6yl)acetamide
CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CC=C4)C5=CC(=CC=C5)N
InChI=1SC27H25N7O2S3c13425(1885919(28)1218)323326(34)371624(36)302010112122(1320)3927(3121)381523(35)2914176324717h213H141628H21H3(H2935)(H3036)
MFCD03082317
ZINC000001880506
ZINC01880506
ZINC1880506
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