Vitas-M small molecule compound
8-methyl-4-(4-nitrobenzyl)-2H,6H-pyrimido[2,1-b][1,3,4]thiadiazine-3,6(4H)-dione
Catalog ID
STL437073
SMILES O=C1CSc2n(N1Cc1ccc(cc1)[N+](=O)[O-])c(=O)cc(n2)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 C14H12N4O4S MW 332.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4O4S/c1-9-6-12(19)17-14(15-9)23-8-13(20)16(17)7-10-2-4-11(5-3-10)18(21)22/h2-6H,7-8H2,1H3InChIKey
KMCMRFTVJNBSGV-UHFFFAOYSA-NSynonyms
8METHYL4((4NITROPHENYL)METHYL)PYRIMIDO(21B)(134)THIADIAZINE36DIONE
8methyl4(4nitrobenzyl)2H6Hpyrimido(21b)(134)thiadiazine36(4H)dione
CC1=CC(=O)N2C(=N1)SCC(=O)N2CC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC14H12N4O4Sc19612(19)1714(159)23813(20)16(17)7102411(5310)18(21)22h26H78H21H3
MFCD06243737
O=C1CSc2n(N1Cc1ccc(cc1)(N+)(=O)(O))c(=O)cc(n2)C
ZINC000001407693
ZINC1407693
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