Vitas-M small molecule compound
N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenyl-5,6-dihydro-1,4-oxathiine-2-carboxamide
Catalog ID
STK636969
SMILES O=C(c1ccccc1)CSc1n[nH]/c(=N/C(=O)C2=C(SCCO2)c2ccccc2)/s1
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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 C21H17N3O3S3 MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3S3/c25-16(14-7-3-1-4-8-14)13-29-21-24-23-20(30-21)22-19(26)17-18(28-12-11-27-17)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,22,23,26)InChIKey
CPQPTLIBECMNMC-UHFFFAOYSA-NSynonyms
1010889-12-91010889129
C1CSC(=C(O1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI=1SC21H17N3O3S3c2516(147314814)132921242320(3021)2219(26)1718(2812112717)1595261015h110H1113H2(H222326)
MFCD18161223
N((2Z)5((2oxo2phenylethyl)sulfanyl)134thiadiazol2(3H)ylidene)3phenyl56dihydro14oxathiine2carboxamide
N(5phenacylsulfanyl134thiadiazol2yl)5phenyl23dihydro14oxathiine6carboxamide
O=C(c1ccccc1)CSc1n(nH)c(=NC(=O)C2=C(SCCO2)c2ccccc2)s1
ZINC000012390214
ZINC12390214
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