Vitas-M small molecule compound
4-(1,3-benzothiazol-2-yl)butyl 3,5-dinitrobenzoate
Catalog ID
STK842593
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OCCCCc1nc2c(s1)cccc2
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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 C18H15N3O6S MW 401.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O6S/c22-18(12-9-13(20(23)24)11-14(10-12)21(25)26)27-8-4-3-7-17-19-15-5-1-2-6-16(15)28-17/h1-2,5-6,9-11H,3-4,7-8H2InChIKey
YMLOBHWCCBCLQN-UHFFFAOYSA-NSynonyms
93870-25-84(13benzothiazol2yl)butyl35dinitrobenzoate
4(BENZO(D)THIAZOL2YL)BUTYL35DINITROBENZOATE
4BENZOTHIAZOL2YLBUTYL35DINITROBENZOATE
93870258
C1=CC=C2C(=C1)N=C(S2)CCCCOC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H15N3O6Sc2218(12913(20(23)24)1114(1012)21(25)26)278437171915512616(15)2817h1256911H3478H2
MFCD03469390
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))OCCCCc1nc2c(s1)cccc2
ZINC000002194488
ZINC02194488
ZINC2194488
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