Vitas-M small molecule compound

2-cyclopropyl-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide

Catalog ID
STK650844
SMILES COCc1n[nH]/c(=N\C(=O)c2ccc3c(c2)C(=O)N(C3=O)C2CC2)/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 C16H14N4O4S MW 358.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O4S/c1-24-7-12-18-19-16(25-12)17-13(21)8-2-5-10-11(6-8)15(23)20(14(10)22)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,17,19,21)
InChIKey
KQIAHGPBKCTYQP-UHFFFAOYSA-N
Synonyms
1144464-91-4
1144464914
2cyclopropylN((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)13dioxo23dihydro1Hisoindole5carboxamide
2cyclopropylN(5(methoxymethyl)134thiadiazol2yl)13dioxoisoindole5carboxamide
COCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CC4
COCc1n(nH)c(=NC(=O)c2ccc3c(c2)C(=O)N(C3=O)C2CC2)s1
InChI=1SC16H14N4O4Sc124712181916(2512)1713(21)8251011(68)15(23)20(14(10)22)9349h2569H347H21H3(H171921)
MFCD18165760
ZINC000031809355
ZINC31809355

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Available files

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