Vitas-M small molecule compound
(2E)-N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
Catalog ID
STK206451
SMILES COc1ccc(cc1NC(=O)/C=C/c1ccc(o1)c1ccccc1[N+](=O)[O-])c1nc2c(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 C27H19N3O5S MW 497.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O5S/c1-34-24-13-10-17(27-29-20-7-3-5-9-25(20)36-27)16-21(24)28-26(31)15-12-18-11-14-23(35-18)19-6-2-4-8-22(19)30(32)33/h2-16H,1H3,(H,28,31)/b15-12+InChIKey
QHHZHMWFGUIIPD-NTCAYCPXSA-NSynonyms
(2E)N(5(13BENZOTHIAZOL2YL)2METHOXYPHENYL)3(5(2NITROPHENYL)FURAN2YL)PROP2ENAMIDE
(E)N(5(13benzothiazol2yl)2methoxyphenyl)3(5(2nitrophenyl)furan2yl)prop2enamide
COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C=CC4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O)
COc1ccc(cc1NC(=O)C=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))c1nc2c(s1)cccc2
InChI=1SC27H19N3O5Sc13424131017(272920735925(20)3627)1621(24)2826(31)151218111423(3518)19624822(19)30(32)33h216H1H3(H2831)b1512+
MFCD06666880
ZINC000009972126
ZINC09972126
ZINC9972126
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