Vitas-M small molecule compound
4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-2-(piperidin-1-ylmethyl)phenyl 4-methylbenzoate hydrochloride
Catalog ID
STL286938
SMILES Cc1ccc(cc1)C(=O)Oc1ccc(cc1CN1CCCCC1)NC1=NS(=O)(=O)c2c1cccc2.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 C27H28ClN3O4S MW 526.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S.ClH/c1-19-9-11-20(12-10-19)27(31)34-24-14-13-22(17-21(24)18-30-15-5-2-6-16-30)28-26-23-7-3-4-8-25(23)35(32,33)29-26;/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3,(H,28,29);1HInChIKey
FVTJQZYHWSPCDP-UHFFFAOYSA-NSynonyms
(4((11dioxo12benzothiazol3yl)amino)2(piperidin1ylmethyl)phenyl)4methylbenzoatehydrochloride
4((11dioxido12benzothiazol3yl)amino)2(piperidin1ylmethyl)phenyl4methylbenzoatehydrochloride
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43)CN5CCCCC5Cl
Cc1ccc(cc1)C(=O)Oc1ccc(cc1CN1CCCCC1)NC1=NS(=O)(=O)c2c1cccc2Cl
InChI=1SC27H27N3O4SClHc11991120(121019)27(31)3424141322(1721(24)1830155261630)282623734825(23)35(3233)2926h3471417H256151618H21H3(H2829)1H
MFCD01617832
ZINC000005978647
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