Vitas-M small molecule compound

1,3-dichloropropan-2-yl 4-(1,2,3-benzothiadiazol-2(3H)-yl)-4-oxobutanoate

Catalog ID
STK499539
SMILES ClCC(OC(=O)CCC(=O)n1sc2c([nH]1)cccc2)CCl

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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 C13H14Cl2N2O3S MW 349.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14Cl2N2O3S/c14-7-9(8-15)20-13(19)6-5-12(18)17-16-10-3-1-2-4-11(10)21-17/h1-4,9,16H,5-8H2
InChIKey
XAAPDHKEYOWPDC-UHFFFAOYSA-N
Synonyms

13dichloropropan2yl4(123benzothiadiazol2(3H)yl)4oxobutanoate
13dichloropropan2yl4(3H123benzothiadiazol2yl)4oxobutanoate
C1=CC=C2C(=C1)NN(S2)C(=O)CCC(=O)OC(CCl)CCl
ClCC(OC(=O)CCC(=O)n1sc2c((nH)1)cccc2)CCl
InChI=1SC13H14Cl2N2O3Sc1479(815)2013(19)6512(18)171610312411(10)2117h14916H58H2
MFCD11855785
ZINC000059192883
ZINC59192883

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Available files

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