Vitas-M small molecule compound
(2E,5Z)-2-{3-[(3-bromophenyl)amino]-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene}-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one
Catalog ID
STK383561
SMILES C=CCn1/c(=C\2/C(=NN(C2=O)c2ccccc2)Nc2cccc(c2)Br)/s/c(=c/2\sc3c(n2CC)cc(cc3)OC)/c1=O
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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 C31H26BrN5O3S2 MW 660.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26BrN5O3S2/c1-4-16-36-29(39)26(31-35(5-2)23-18-22(40-3)14-15-24(23)41-31)42-30(36)25-27(33-20-11-9-10-19(32)17-20)34-37(28(25)38)21-12-7-6-8-13-21/h4,6-15,17-18H,1,5,16H2,2-3H3,(H,33,34)/b30-25+,31-26-InChIKey
QQZPYPBIXQDEST-BENVAKDZSA-NSynonyms
(2E5Z)2(3((3bromophenyl)amino)5oxo1phenyl15dihydro4Hpyrazol4ylidene)5(3ethyl5methoxy13benzothiazol2(3H)ylidene)3(prop2en1yl)13thiazolidin4one
(2E5Z)2(3(3BROMOANILINO)5OXO1PHENYLPYRAZOL4YLIDENE)5(3ETHYL5METHOXY13BENZOTHIAZOL2YLIDENE)3PROP2ENYL13THIAZOLIDIN4ONE
2(3((3BROMOPHENYL)AMINO)5OXO1PHENYL(12DIAZOLIN4YLIDENE))5(3ETHYL5METHOXY(3HYDROBENZOTHIAZOL2YLIDENE))3PROP2ENYL13THIAZOLIDIN4ONE
C=CCn1c(=C2C(=NN(C2=O)c2ccccc2)Nc2cccc(c2)Br)sc(=c2sc3c(n2CC)cc(cc3)OC)c1=O
CCN1C2=C(C=CC(=C2)OC)SC1=C3C(=O)N(C(=C4C(=NN(C4=O)C5=CC=CC=C5)NC6=CC(=CC=C6)Br)S3)CC=C
InChI=1SC31H26BrN5O3S2c14163629(39)26(3135(52)231822(403)141524(23)4131)4230(36)2527(33201191019(32)1720)3437(28(25)38)21127681321h46151718H1516H223H3(H3334)b3025+3126
MFCD03648723
ZINC000150399408
ZINC150399408
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