Vitas-M small molecule compound
4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Catalog ID
STK126864
SMILES O=C(Nc1nc2c(s1)cc(cc2)[N+](=O)[O-])CCCOc1ccc(cc1C)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 C18H16ClN3O4S MW 405.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O4S/c1-11-9-12(19)4-7-15(11)26-8-2-3-17(23)21-18-20-14-6-5-13(22(24)25)10-16(14)27-18/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,23)InChIKey
HEUXOHLXFVZFTC-UHFFFAOYSA-NSynonyms
545430-46-44(4CHLORO2METHYLPHENOXY)N(6NITRO13BENZOTHIAZOL2YL)BUTANAMIDE
4(4CHLORO2METHYLPHENOXY)N(6NITROBENZOTHIAZOL2YL)BUTANAMIDE
545430464
CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)(N+)(=O)(O)
InChI=1SC18H16ClN3O4Sc111912(19)4715(11)2682317(23)211820146513(22(24)25)1016(14)2718h47910H238H21H3(H202123)
MFCD03391103
O=C(Nc1nc2c(s1)cc(cc2)(N+)(=O)(O))CCCOc1ccc(cc1C)Cl
ZINC000002755481
ZINC02755481
ZINC2755481
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