Vitas-M small molecule compound

methyl 2-chloro-6,8-dimethyl-6H-dibenzo[b,f][1,4,5]oxathiazepine-3-carboxylate 5,5-dioxide

Catalog ID
STK695594
SMILES COC(=O)c1cc2c(cc1Cl)Oc1c(N(S2(=O)=O)C)cc(cc1)C

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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 C16H14ClNO5S MW 367.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClNO5S/c1-9-4-5-13-12(6-9)18(2)24(20,21)15-7-10(16(19)22-3)11(17)8-14(15)23-13/h4-8H,1-3H3
InChIKey
PNLCUWYDOWYDEB-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)OC3=C(C=C(C(=C3)Cl)C(=O)OC)S(=O)(=O)N2C
InChI=1SC16H14ClNO5Sc19451312(69)18(2)24(2021)15710(16(19)223)11(17)814(15)2313h48H13H3
methyl2chloro68dimethyl55dioxobenzo(c)(512)benzoxathiazepine3carboxylate
METHYL2CHLORO68DIMETHYL6HDIBENZO(BF)(145)OXATHIAZEPINE3CARBOXYLATE55DIOXIDE
MFCD18075396
ZINC000036559195
ZINC36559195

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Available files

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