Vitas-M small molecule compound
5-[2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK853840
SMILES O=C1N(C)C(=O)C(=C2CC(Sc3c(N2)cccc3)c2ccc3c(c2)OCO3)C(=O)N1C
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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 C22H19N3O5S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5S/c1-24-20(26)19(21(27)25(2)22(24)28)14-10-18(31-17-6-4-3-5-13(17)23-14)12-7-8-15-16(9-12)30-11-29-15/h3-9,18,23H,10-11H2,1-2H3InChIKey
AMYMHQLGIYORIV-UHFFFAOYSA-NSynonyms
5(2(13benzodioxol5yl)23dihydro15benzothiazepin4(5H)ylidene)13dimethylpyrimidine246(1H3H5H)trione
5(2(13benzodioxol5yl)35dihydro2H15benzothiazepin4ylidene)13dimethyl13diazinane246trione
5(2(benzo(d)(13)dioxol5yl)23dihydrobenzo(b)(14)thiazepin4(5H)ylidene)13dimethylpyrimidine246(1H3H5H)trione
CN1C(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)N(C1=O)C
InChI=1SC22H19N3O5Sc12420(26)19(21(27)25(2)22(24)28)141018(3117643513(17)2314)12781516(912)30112915h391823H1011H212H3
MFCD07642109
ZINC000013592083
ZINC000013592085
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