Vitas-M small molecule compound

N-[(E)-amino(1,3-benzothiazol-2-ylamino)methylidene]-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)acetamide

Catalog ID
STK080860
SMILES N/C(=N\C(=O)CN1C(=O)C2C(C1=O)CCCC2)/Nc1nc2c(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 C18H19N5O3S MW 385.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O3S/c19-17(22-18-20-12-7-3-4-8-13(12)27-18)21-14(24)9-23-15(25)10-5-1-2-6-11(10)16(23)26/h3-4,7-8,10-11H,1-2,5-6,9H2,(H3,19,20,21,22,24)
InChIKey
MIWQXYRPJRSUKA-UHFFFAOYSA-N
Synonyms
327973-59-1
(E)N(amino(benzo(d)thiazol2ylamino)methylene)2(13dioxohexahydro1Hisoindol2(3H)yl)acetamide
C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC(=NC3=NC4=CC=CC=C4S3)N
InChI=1SC18H19N5O3Sc1917(22182012734813(12)2718)2114(24)92315(25)10512611(10)16(23)26h34781011H12569H2(H31920212224)
MFCD02127944
N((E)AMINO((2Z)13BENZOTHIAZOL2(3H)YLIDENEAMINO)METHYLIDENE)2(13DIOXOOCTAHYDRO2HISOINDOL2YL)ACETAMIDE
N((E)AMINO(13BENZOTHIAZOL2YLAMINO)METHYLIDENE)2(13DIOXOOCTAHYDRO2HISOINDOL2YL)ACETAMIDE
N(N(13benzothiazol2yl)carbamimidoyl)2(13dioxo3a45677ahexahydroisoindol2yl)acetamide
NC(=NC(=O)CN1C(=O)C2C(C1=O)CCCC2)Nc1nc2c(s1)cccc2
STK080860
ZINC000018136703
ZINC000100114913

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.