Vitas-M small molecule compound
methyl 3'-(4-methoxyphenyl)-3H,3'H-spiro[1,3-benzothiazole-2,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK677621
SMILES COc1ccc(cc1)N1N=C(SC21Nc1c(S2)cccc1)C(=O)OC
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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 C17H15N3O3S2 MW 373.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O3S2/c1-22-12-9-7-11(8-10-12)20-17(25-15(19-20)16(21)23-2)18-13-5-3-4-6-14(13)24-17/h3-10,18H,1-2H3InChIKey
PNZBHDGDDYMDEJ-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2C3(NC4=CC=CC=C4S3)SC(=N2)C(=O)OC
InChI=1SC17H15N3O3S2c122129711(81012)2017(2515(1920)16(21)232)1813534614(13)2417h31018H12H3
methyl3(4methoxyphenyl)3H3Hspiro(13benzothiazole22(134)thiadiazole)5carboxylate
METHYL4(4METHOXYPHENYL)SPIRO(134THIADIAZOLE523H13BENZOTHIAZOLE)2CARBOXYLATE
MFCD02933937
ZINC000003616024
ZINC000003616027
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