Vitas-M small molecule compound
(2E,5E)-3-ethyl-5-[(2Z)-2-(3-ethyl-6-methoxy-1,3-benzothiazol-2(3H)-ylidene)-1-phenylethylidene]-2-[3-methyl-1-(3-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]-1,3-thiazolidin-4-one
Catalog ID
STK383508
SMILES COc1ccc2c(c1)s/c(=C\C(=c\1/s/c(=C/3\C(=NN(C3=O)c3cccc(c3)[N+](=O)[O-])C)/n(c1=O)CC)\c1ccccc1)/n2CC
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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 C33H29N5O5S2 MW 639.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N5O5S2/c1-5-35-26-16-15-24(43-4)18-27(26)44-28(35)19-25(21-11-8-7-9-12-21)30-32(40)36(6-2)33(45-30)29-20(3)34-37(31(29)39)22-13-10-14-23(17-22)38(41)42/h7-19H,5-6H2,1-4H3/b28-19-,30-25+,33-29+InChIKey
JKWGFHGKTAHHCC-MTVUJYIVSA-NSynonyms
(2E5E)3ethyl5((2Z)2(3ethyl6methoxy13benzothiazol2(3H)ylidene)1phenylethylidene)2(3methyl1(3nitrophenyl)5oxo15dihydro4Hpyrazol4ylidene)13thiazolidin4one
(2E5E)3ETHYL5((2Z)2(3ETHYL6METHOXY13BENZOTHIAZOL2YLIDENE)1PHENYLETHYLIDENE)2(3METHYL1(3NITROPHENYL)5OXOPYRAZOL4YLIDENE)13THIAZOLIDIN4ONE
3ETHYL5(2(3ETHYL6METHOXY(3HYDROBENZOTHIAZOL2YLIDENE))1PHENYLETHYLIDENE)2(3METHYL1(3NITROPHENYL)5OXO(12DIAZOLIN4YLIDENE))13THIAZOLIDIN4ONE
CCN1C2=C(C=C(C=C2)OC)SC1=CC(=C3C(=O)N(C(=C4C(=NN(C4=O)C5=CC(=CC=C5)(N+)(=O)(O))C)S3)CC)C6=CC=CC=C6
COc1ccc2c(c1)sc(=CC(=c1sc(=C3C(=NN(C3=O)c3cccc(c3)(N+)(=O)(O))C)n(c1=O)CC)c1ccccc1)n2CC
InChI=1SC33H29N5O5S2c153526161524(434)1827(26)4428(35)1925(21118791221)3032(40)36(62)33(4530)2920(3)3437(31(29)39)2213101423(1722)38(41)42h719H56H214H3b28193025+3329+
MFCD03648709
ZINC000004109328
ZINC4109328
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