Vitas-M small molecule compound
N-[(2Z)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Catalog ID
STL245461
SMILES COCc1n[nH]/c(=N/C(=O)c2cnc3n(c2=O)c2CCCCCc2s3)/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 C16H17N5O3S2 MW 391.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O3S2/c1-24-8-12-19-20-15(26-12)18-13(22)9-7-17-16-21(14(9)23)10-5-3-2-4-6-11(10)25-16/h7H,2-6,8H2,1H3,(H,18,20,22)InChIKey
ZCPVHXJHZSMUOQ-UHFFFAOYSA-NSynonyms
1351700-51-01351700510
COCC1=NN=C(S1)NC(=O)C2=CN=C3N(C2=O)C4=C(S3)CCCCC4
COCc1n(nH)c(=NC(=O)c2cnc3n(c2=O)c2CCCCCc2s3)s1
InChI=1SC16H17N5O3S2c124812192015(2612)1813(22)97171621(14(9)23)105324611(10)2516h7H268H21H3(H182022)
MFCD24860275
N((2Z)5(methoxymethyl)134thiadiazol2(3H)ylidene)4oxo78910tetrahydro4H6Hcyclohepta(45)(13)thiazolo(32a)pyrimidine3carboxamide
N(5(methoxymethyl)134thiadiazol2yl)4oxo78910tetrahydro6Hcyclohepta(34)(13)thiazolo(14a)pyrimidine3carboxamide
ZINC000072401198
ZINC72401198
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