Vitas-M small molecule compound
(2E)-2-{(2E)-[4-(1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazinylidene}-N-(4-chlorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
Catalog ID
STK087757
SMILES C/C(=N\N=C\1/NC(=O)CC(S1)C(=O)Nc1ccc(cc1)Cl)/CCc1ccc2c(c1)OCO2
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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 C22H21ClN4O4S MW 472.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O4S/c1-13(2-3-14-4-9-17-18(10-14)31-12-30-17)26-27-22-25-20(28)11-19(32-22)21(29)24-16-7-5-15(23)6-8-16/h4-10,19H,2-3,11-12H2,1H3,(H,24,29)(H,25,27,28)/b26-13+InChIKey
DKOARVRESPVBSX-LGJNPRDNSA-NSynonyms
(2((2E)5(2HBENZO(34D)13DIOXOLEN5YL)3METHYL12DIAZAPENT2ENYLIDENE)4OXO(13THIAZAPERHYDROIN6YL))N(4CHLOROPHENYL)CARBOXAMIDE
(2E)2((2E)(4(13BENZODIOXOL5YL)BUTAN2YLIDENE)HYDRAZINYLIDENE)N(4CHLOROPHENYL)4OXO13THIAZINANE6CARBOXAMIDE
2((2E)2(4(13benzodioxol5yl)butan2ylidene)hydrazinyl)N(4chlorophenyl)4oxo56dihydro13thiazine6carboxamide
2((3BENZO(13)DIOXOL5YL1METHYLPROPYLIDENE)HYDRAZONO)4OXO(13)THIAZINANE6CARBOXYLICACID(4CHLOROPHENYL)AMIDE
CC(=NN=C1NC(=O)CC(S1)C(=O)Nc1ccc(cc1)Cl)CCc1ccc2c(c1)OCO2
CC(=NNC1=NC(=O)CC(S1)C(=O)NC2=CC=C(C=C2)Cl)CCC3=CC4=C(C=C3)OCO4
InChI=1SC22H21ClN4O4Sc113(2314491718(1014)31123017)2627222520(28)1119(3222)21(29)24167515(23)6816h41019H231112H21H3(H2429)(H252728)b2613+
MFCD02231310
STK087757
ZINC000013424213
ZINC000018137663
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